SCHEMBL4977036

SCHEMBL4977036

Cn1c(NCc2ccc(Cl)cc2)nc2cc(CNc3ccnc(Nc4ccc(CS(N)(=O)=O)cc4)n3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ STK17A Q9UEE5 1/20 0.43
▸ AKT1 P31749 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ PTK2 Q05397 1/20 0.42
▸ CSF1R P07333 3/20 0.41
▸ TYK2 P29597 2/20 0.41
▸ ULK2 Q8IYT8 1/20 0.41
▸ TBK1 Q9UHD2 1/20 0.41
▸ SRPK2 P78362 1/20 0.41
▸ SRPK1 Q96SB4 1/20 0.41
▸ MRGPRX1 Q96LB2 1/20 0.40
▸ IKBKB O14920 1/20 0.40
▸ GFER P55789 1/20 0.39
▸ PLK4 O00444 1/20 0.39
▸ CLK4 Q9HAZ1 3/20 0.38
▸ DYRK1A Q13627 2/20 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
Hydrochloric Acid SCHEMBL4982300 0.99 NPC1 (0.45) NPC1RAB9AKMT2ASMN1; SMN2STK17A
SCHEMBL4982070 0.92 PLK4 (0.47) NPC1RAB9AKMT2ASMN1; SMN2KDR
Hydrochloric Acid SCHEMBL4984040 0.92 PLK4 (0.47) NPC1RAB9AKMT2ASMN1; SMN2KDR
SCHEMBL4978232 0.92 CSF1R (0.41) NPC1RAB9AKMT2ACSF1RTYK2
Hydrochloric Acid SCHEMBL4981900 0.91 KCNH3 (0.41) NPC1RAB9AKMT2ACSF1RTYK2
SCHEMBL4980894 0.90 ALDH1A1 (0.47) NPC1RAB9AKMT2ASMN1; SMN2AKT1
Hydrochloric Acid SCHEMBL4979913 0.89 ALDH1A1 (0.46) NPC1RAB9AKMT2ASMN1; SMN2AKT1
SCHEMBL4980837 0.89 BTK (0.50) NPC1RAB9AKMT2ASMN1; SMN2STK17A
SCHEMBL4981708 0.88 MEN1 (0.41) NPC1RAB9AKMT2AKDRCSF1R
Hydrochloric Acid SCHEMBL4980031 0.88 BTK (0.49) NPC1RAB9AKMT2ASMN1; SMN2STK17A

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 4360/4885KMT2A 366/4885

“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.

Send feedback