SCHEMBL4982984

SCHEMBL4982984

COc1ccc(Nc2nc3cc(CNc4ccnc(Nc5ccc(CS(N)(=O)=O)cc5)n4)ccc3n2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ KDR P35968 3/20 0.44
▸ BRAF P15056 2/20 0.44
▸ AKT1 P31749 1/20 0.44
▸ PLK1 P53350 1/20 0.44
▸ PTK2 Q05397 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ IKBKB O14920 1/20 0.43
▸ CLK4 Q9HAZ1 4/20 0.41

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
SCHEMBL4980894 0.97 ALDH1A1 (0.47) NPC1RAB9AALDH1A1KDM4ETP53
Hydrochloric Acid SCHEMBL4979913 0.96 ALDH1A1 (0.46) NPC1RAB9AALDH1A1KDM4ETP53
SCHEMBL4981708 0.90 MEN1 (0.41) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL4982917 0.89 BRAF (0.46) KDRBRAFHRH3RAF1CDK4
SCHEMBL4982070 0.87 PLK4 (0.47) NPC1RAB9ASMN1; SMN2MAPK1KMT2A
SCHEMBL4977036 0.87 NPC1 (0.46) NPC1RAB9ASMN1; SMN2KMT2AKDR
Hydrochloric Acid SCHEMBL4984040 0.87 PLK4 (0.47) NPC1RAB9ASMN1; SMN2MAPK1KMT2A
SCHEMBL4978232 0.87 CSF1R (0.41) NPC1RAB9AMEN1LMNAMAPT
Hydrochloric Acid SCHEMBL4981900 0.86 KCNH3 (0.41) NPC1RAB9AMEN1LMNAMAPT
Hydrochloric Acid SCHEMBL4982300 0.86 NPC1 (0.45) NPC1RAB9ASMN1; SMN2KMT2AKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 — — US claimed
US-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION 2005-10-20 — — US claimed
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 — — US disclosed
US-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION 2005-10-20 — — 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-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors TIE1, TEK, KDR NPC1 4748/4885RAB9A 4360/4885ALDH1A1 994/4885

“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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