SCHEMBL20008035

SCHEMBL20008035

NS(=O)(=O)OC[C@@H]1CC[C@H](n2cnc3c(NCCN4CCN(Cc5ccccc5)CC4)ncnc32)O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 6/20 0.50
▸ RIN1 Q13671 6/20 0.50
▸ NR2F2 P24468 5/20 0.45
▸ GALR3 O60755 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ NAE1 Q13564 3/20 0.42
▸ UBA3 Q8TBC4 3/20 0.42
▸ UBA6 A0AVT1 1/20 0.42
▸ ATG7 O95352 1/20 0.42
▸ UBA7 P41226 1/20 0.42
▸ SAE1 Q9UBE0 1/20 0.42
▸ ADORA3 P0DMS8 2/20 0.40
▸ ADORA2A P29274 2/20 0.40
▸ ADORA1 P30542 1/20 0.40

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
SCHEMBL12566819 0.86 NPC1 (0.58) NR2F2NPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL1796279 0.83 UBA6 (0.60) NAE1UBA3UBA6ATG7UBA7
SCHEMBL12567124 0.80 ABL1 (0.49) ABL1RIN1NR2F2NPC1RAB9A
SCHEMBL12652607 0.78 NR2F2 (0.54) NR2F2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL12652414 0.78 UBA6 (0.47) ABL1RIN1NR2F2GALR3NAE1
SCHEMBL12567198 0.78 ATG7 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1NAE1
SCHEMBL18630490 0.78 P2RY12 (0.53) NAE1UBA3UBA6ATG7UBA7
SCHEMBL12566837 0.77 CCNA2 (0.43) NPC1RAB9ASMN1; SMN2NAE1UBA3
SCHEMBL12566427 0.76 DNPH1 (0.47) ABL1RIN1NR2F2GALR3ALDH1A1
SCHEMBL12567224 0.76 ADORA3 (0.44) NPC1RAB9ASMN1; SMN2PAX8NAE1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. 2018-03-29 — — 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 (1 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-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 ABL1 2724/4885RIN1 2025/4885NR2F2 2928/4885

“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.

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