SCHEMBL12438818

SCHEMBL12438818

Cc1ccc(-n2ccc(C=O)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
ALDH1A1 P00352 5/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
NOTUM Q6P988 2/20 0.43
KDM4E B2RXH2 6/20 0.40
HPGD P15428 2/20 0.40
CYP2A6 P11509 1/20 0.39
UBE2N P61088 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.37
P2RX7 Q99572 1/20 0.37
F2 P00734 1/20 0.36
ELANE P08246 1/20 0.36
CTSG P08311 1/20 0.36
CMA1 P23946 1/20 0.36
CTRC Q99895 1/20 0.36
MAPK1 P28482 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
SCHEMBL28050493 0.81 KMT2A (0.49) HTTALDH1A1POLBKMT2ANOTUM
SCHEMBL16045938 0.81 ALDH1A1 (0.44) HTTALDH1A1KMT2ANOTUMKDM4E
SCHEMBL1060286 0.81 P2RX7 (0.56) HTTALDH1A1POLBKMT2AKDM4E
SCHEMBL4251316 0.80 MEN1 (0.54) HTTALDH1A1KMT2AHPGDNPC1
SCHEMBL3116927 0.80 PTGS2 (0.48) HTT
SCHEMBL23036953 0.79 MTOR (0.52) HTTALDH1A1KMT2AKDM4EHPGD
SCHEMBL12422701 0.78 HTT (0.59) HTTALDH1A1POLBKMT2ANOTUM
SCHEMBL5149995 0.77 ALDH1A1 (0.44) HTTALDH1A1POLBNOTUMKDM4E
SCHEMBL2217122 0.77 UBE2N (0.43) ALDH1A1NOTUMUBE2NNPC1RAB9A
SCHEMBL19457078 0.76 HTT (0.67) HTTALDH1A1POLBKMT2ASMN1; SMN2

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-8334317-B2 Calcium receptor modulating agents AMGEN INC. (US) 2012-12-18 US disclosed
CN-101544634-B 2-phenyl-3-substituted pyrazolo[1,5-a]pyridine derivatives, preparation method and application thereof TIANJIN INST PHARM RESEARCH 2011-08-10 CN disclosed
US-20110178133-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. 2011-07-21 US disclosed
CN-101544634-A 2-phenyl-3-substituted pyrazolo[1,5-a]pyridine derivatives, preparation method and application thereof TIANJIN INST PHARM RESEARCH 2009-09-30 CN 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-20110178133-A1 CALCIUM RECEPTOR MODULATING AGENTS CASR, CALCR, RYR1 HTT 3407/4885ALDH1A1 3977/4885POLB 4841/4885

“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.