SCHEMBL6300524

SCHEMBL6300524

Nc1ccc2c(ccn2CC2CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.47
HTR6 P50406 5/20 0.41
GRM2 Q14416 1/20 0.41
NTSR1 P30989 1/20 0.40
HTR7 P34969 1/20 0.39
PLAU P00749 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
BRPF1 P55201 1/20 0.37
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36

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
SCHEMBL23902695 0.92 PRKCI (0.44) PRKCIHTR6GRM2NTSR1HTR7
SCHEMBL30365011 0.92 PRKCI (0.44) PRKCIHTR6GRM2NTSR1HTR7
SCHEMBL30364834 0.90 CNR2 (0.49) PRKCIHTR6GRM2NTSR1PIK3CD
SCHEMBL23902660 0.90 CNR2 (0.49) PRKCIHTR6GRM2NTSR1PIK3CD
SCHEMBL30364809 0.89 GRM2 (0.42) PRKCIHTR6GRM2NTSR1HTR7
SCHEMBL23902715 0.89 GRM2 (0.42) PRKCIHTR6GRM2NTSR1HTR7
SCHEMBL31324655 0.88 HTR7 (0.46) PRKCIHTR6GRM2HTR7PIK3CD
SCHEMBL23902712 0.87 BRD4 (0.43) PRKCIHTR6GRM2NTSR1CNR1
SCHEMBL23902671 0.87 PRKCI (0.40) PRKCIHTR6GRM2NTSR1HTR7
SCHEMBL30364846 0.87 BRD4 (0.43) PRKCIHTR6GRM2NTSR1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867201-B2 Heteroaromatic bicyclic derivatives useful as anticancer agents PFIZER INC (US) 2005-03-15 US disclosed
EP-1396489-A1 Heteroaromatic bicyclic derivatives useful as anticancer agents Pfizer Products Inc. (US) 2004-03-10 EP disclosed
EP-1029853-B1 Heteroaromatic bicyclic derivatives useful as anticancer agents PFIZER PROD INC (US) 2004-02-25 EP disclosed
US-20030055049-A1 Heteroaromatic bicyclic derivatives useful as anticancer agents PFIZER INC. 2003-03-20 US disclosed
US-6465449-B1 SUCH AS (6-(4-(6-AMINO-3-AZA-BICYCLO(3.1.0)HEX-3-YLMETHYL)-PHENYL)-QUINAZOLIN-4-YL) -(4-PHENOXY-PHENYL)-AMINE PFIZER INC. 2002-10-15 US disclosed
EP-1029853-A1 Heteroaromatic bicyclic derivatives useful as anticancer agents Pfizer Products Inc. (US) 2000-08-23 EP 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-20030055049-A1 Heteroaromatic bicyclic derivatives useful as anticancer agents RCC1, CCNA1, MCL1 PRKCI 4021/4885HTR6 3211/4885GRM2 4463/4885

“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.