SCHEMBL2882168

SCHEMBL2882168

COc1ccc(-c2ccc(-c3cc4c(Br)cnn4c(SC)n3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.43
SMN1; SMN2 Q16637 7/20 0.43
NPC1 O15118 6/20 0.43
MAPT P10636 5/20 0.43
LMNA P02545 3/20 0.43
MAPK1 P28482 1/20 0.42
CSNK2A1 P68400 2/20 0.41
DYRK1A Q13627 2/20 0.41
PLK4 O00444 1/20 0.41
AURKA O14965 1/20 0.41
DYRK3 O43781 1/20 0.41
MAP4K4 O95819 1/20 0.41
NTRK1 P04629 1/20 0.41
INSR P06213 1/20 0.41
CDK1 P06493 1/20 0.41
FGFR1 P11362 1/20 0.41
FLT1 P17948 1/20 0.41
CDK2 P24941 1/20 0.41
MARK3 P27448 1/20 0.41
FLT4 P35916 1/20 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
SCHEMBL2881754 0.90 MAPT (0.39) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL2884265 0.85 ALDH1A1 (0.39) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL2877008 0.79 KDM4E (0.43) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL2213882 0.76 SMN1; SMN2 (0.45) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL2880067 0.74 SMN1; SMN2 (0.44) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL2882414 0.70 ALDH1A1 (0.41) RAB9ASMN1; SMN2MAPTLMNAKDM4E
SCHEMBL2214089 0.69 MAPT (0.44) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL31351812 0.68 MAPT (0.70) SMN1; SMN2MAPTLMNAMAPK1KDM4E
SCHEMBL31351807 0.68 MAPT (0.70) SMN1; SMN2MAPTLMNAMAPK1KDM4E
SCHEMBL25415123 0.66 KDR (0.65) RAB9ASMN1; SMN2MAPTCSNK2A1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745446-B2 Pyrazolo[1,5-c]pyrimidines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-29 US disclosed
US-20070254046-A1 Novel Pyrazolopyrimidines ALTANA PHARMA AG (DE) 2007-11-01 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-20070254046-A1 Novel Pyrazolopyrimidines MCL1, RARS2, CDK4 RAB9A 3213/4885SMN1; SMN2 1421/4885NPC1 3449/4885

“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.