SCHEMBL18589317

SCHEMBL18589317

OCC1CC(n2ccc3c(Cl)ncnc32)CC1O

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
SCHEMBL936138 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174040-B2 Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2019-01-08 US disclosed
US-20180162864-A1 PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF AND COMPOSITIONS CONTAINING THE PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-06-14 US disclosed
US-20180162864-A1 PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF AND COMPOSITIONS CONTAINING THE PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-06-14 US disclosed
US-9963456-B2 Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD (JP) 2018-05-08 US disclosed
US-9963456-B2 Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD (JP) 2018-05-08 US disclosed
US-20170066772-A1 NOVEL PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING SAME, ESPECIALLY AGENT FOR PREVENTION AND/OR TREATMENT OF TUMORS ETC BASED ON NAE INHIBITORY EFFECT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2017-03-09 US disclosed
CN-101868461-B Method for synthesizing E1 activating enzyme inhibitor MILLENNIUM PHARM INC 2013-09-25 CN disclosed
CN-102421780-A Sulfamic acid ((1S,2S,4R) -4- {4- [ (1S) -2, 3-dihydro-1H-inden-1-ylamino ] -7H-pyrrolo [2,3-D ] pyrimidin-7-yl } -2-hydroxycyclopentyl) methyl ester hydrochloride MILLENNIUM PHARM INC 2012-04-18 CN disclosed
CN-101868461-A Method for synthesizing E1 activating enzyme inhibitor MILLENNIUM PHARM INC 2010-10-20 CN 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 (3 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-10174040-B2 Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof KRAS, DPYD, PSTPIP2 UBA6 4470/4885NAE1 312/4885CA2 625/4885
US-20170066772-A1 NOVEL PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING SAME, ESPECIALLY AGENT FOR PREVENTION AND/OR TREATMENT OF TUMORS ETC BASED ON NAE INHIBITORY EFFECT WASHC5, NME1, NHERF1 UBA6 4510/4885NAE1 55/4885CA2 172/4885
US-20180162864-A1 PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF AND COMPOSITIONS CONTAINING THE PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF KRAS, DPYD, PSTPIP2 UBA6 4470/4885NAE1 312/4885CA2 625/4885

“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.