SCHEMBL936138

SCHEMBL936138

OC[C@@H]1C[C@@H](n2ccc3c(Cl)ncnc32)C[C@@H]1O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UBA6 A0AVT1 5/20 0.41
NAE1 Q13564 2/20 0.41
CA2 P00918 2/20 0.41
GRK5 P34947 1/20 0.41
CSNK1A1 P48729 1/20 0.41
NEDD8 Q15843 1/20 0.41
UBA3 Q8TBC4 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
PRMT5 O14744 2/20 0.39
WDR77 Q9BQA1 2/20 0.39
NNMT P40261 6/20 0.38
TK1 P04183 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1947419 1.00 UBA6 (0.41) UBA6NAE1CA2GRK5CSNK1A1
SCHEMBL18589317 1.00 UBA6 (0.41) UBA6NAE1CA2GRK5CSNK1A1
SCHEMBL1795550 0.90 UBA6 (0.40) UBA6NAE1CA2GRK5CSNK1A1
SCHEMBL23892218 0.88 PRMT5 (0.47) UBA6NAE1PRMT5WDR77NNMT
SCHEMBL16943624 0.86 UBA6 (0.41) UBA6PRMT5WDR77NNMT
SCHEMBL191943 0.85 ADK (0.48) PRMT5WDR77
SCHEMBL10186224 0.85 UBA6 (0.42) UBA6NAE1CA2GRK5CSNK1A1
SCHEMBL25048671 0.85 UBA6 (0.42) UBA6NAE1CA2GRK5CSNK1A1
SCHEMBL19563037 0.85 ADK (0.48) PRMT5WDR77
SCHEMBL16769947 0.83 PRMT5 (0.44) UBA6PRMT5WDR77NNMT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368165-A1 SOLID STATE FORMS OF HYDROCHLORIDE SALT OF ((1S,2S,4R)-4-{4-[(1S)-2,3-DIHYDRO-1H-INDEN-1-YLAMINO]-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL}-2-HYDROXYCYCLOPENTYL)METHYL SULFAMATE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-11-07 US disclosed
EP-3091020-B1 HYDROCHLORIDE SALT OF ((1S,2S,4R)-4-{4-[(1S)-2,3-DIHYDRO-1H-INDEN-1-YLAMINO]-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL}-2-HYDROXYCYCLOPENTYL)METHYL SULFAMATE MILLENNIUM PHARM INC (US) 2020-12-30 EP disclosed
US-10745404-B2 Process for the synthesis of E1 activating enzyme inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2020-08-18 US disclosed
US-10745404-B2 Process for the synthesis of E1 activating enzyme inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2020-08-18 US disclosed
EP-2546256-B1 Process for the synthesis of E1 activating enzyme inhibitors MILLENNIUM PHARM INC (US) 2019-10-09 EP disclosed
EP-2540726-B1 Intermediates for the synthesis of E1 activity activating enzyme inhibitors MILLENNIUM PHARM INC (US) 2019-10-09 EP disclosed
EP-2540727-B1 SULFAMOYLATING REAGENT MILLENNIUM PHARM INC (US) 2018-07-25 EP disclosed
US-10016427-B2 Hydrochloride salt of((1S,2S,4R)-4-{4-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-7H-pyrrolo[2,3-D]pyrimidin-7-YL}-2-hydroxycyclopentyl) methyl sulfamate Millennium Pharmacetuicals, Inc. (US) 2018-07-10 US disclosed
US-20180079755-A1 PROCESS FOR THE SYNTHESIS OF E1 ACTIVATING ENZYME INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-22 US disclosed
US-20180079755-A1 PROCESS FOR THE SYNTHESIS OF E1 ACTIVATING ENZYME INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-22 US disclosed
US-20150210700-A1 INDOLE-SUBSTITUTED PYRROLOPYRIMIDINYL INHIBITORS OF UBA6 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-30 US disclosed
EP-2879681-A1 INDOLE-SUBSTITUTED PYRROLOPYRIMIDINYL INHIBITORS OF Uba6 Millennium Pharmaceuticals, Inc. (US) 2015-06-10 EP disclosed
US-20150080573-A1 PROCESS FOR THE SYNTHESIS OF E1 ACTIVATING ENZYME INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-03-19 US disclosed
US-8933225-B2 Process for the synthesis of E1 activating enzyme inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
WO-2014022744-A1 INDOLE-SUBSTITUTED PYRROLOPYRIMIDINYL INHIBITORS OF Uba6 MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-02-06 WO disclosed
EP-2546256-A2 Process for the synthesis of intermediates compounds useful for the preparation of E1 activity activating enzyme inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-01-16 EP disclosed
EP-2540726-A1 Intermediates for the synthesis of E1 activity activating enzyme inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-01-02 EP disclosed
EP-2540727-A1 SULFAMOYLATING REAGENT MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-01-02 EP disclosed
US-20110021544-A1 HYDROCHLORIDE SALT OF ((1S,2S,4R)-4--2-HYDROXYCYCLOPENTYL)METHYL SULFAMATE MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-27 US disclosed
US-20090036678-A1 Process for the synthesis of E1 activating enzyme inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-02-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10016427-B2 Hydrochloride salt of((1S,2S,4R)-4-{4-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-7H-pyrrolo[2,3-D]pyrimidin-7-YL}-2-hydroxycyclopentyl) methyl sulfamate SULT1E1, SULT1A1, STS UBA6 3883/4885NAE1 39/4885CA2 176/4885
US-10745404-B2 Process for the synthesis of E1 activating enzyme inhibitors SULT1E1, SULT1A1, STS UBA6 1242/4885NAE1 52/4885CA2 2803/4885
US-20240368165-A1 SOLID STATE FORMS OF HYDROCHLORIDE SALT OF ((1S,2S,4R)-4-{4-[(1S)-2,3-DIHYDRO-1H-INDEN-1-YLAMINO]-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL}-2-HYDROXYCYCLOPENTYL)METHYL SULFAMATE SULT1E1, SRM, SULT1A1 UBA6 4743/4885NAE1 4365/4885CA2 341/4885
US-20090036678-A1 Process for the synthesis of E1 activating enzyme inhibitors SULT1E1, SULT1A1, ALDH18A1 UBA6 927/4885NAE1 50/4885CA2 3185/4885
US-20150080573-A1 PROCESS FOR THE SYNTHESIS OF E1 ACTIVATING ENZYME INHIBITORS SULT1E1, SULT1A1, ALDH18A1 UBA6 927/4885NAE1 50/4885CA2 3185/4885
US-20150210700-A1 INDOLE-SUBSTITUTED PYRROLOPYRIMIDINYL INHIBITORS OF UBA6 UBA6, UBE2V1, UBA1 UBA6 1/4885NAE1 344/4885CA2 4672/4885
US-20110021544-A1 HYDROCHLORIDE SALT OF ((1S,2S,4R)-4--2-HYDROXYCYCLOPENTYL)METHYL SULFAMATE SULT1E1, SULT1A1, SULT2A1 UBA6 2934/4885NAE1 37/4885CA2 161/4885
US-20180079755-A1 PROCESS FOR THE SYNTHESIS OF E1 ACTIVATING ENZYME INHIBITORS SULT1E1, SULT1A1, ALDH18A1 UBA6 984/4885NAE1 53/4885CA2 3178/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.