SCHEMBL9931947

SCHEMBL9931947

Cn1c(-c2cc(N3CCC(O)(c4cncnc4)C3)ncc2Cl)nc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMO Q99835 11/20 0.36
CYP2C9 P11712 1/20 0.34
KDR P35968 1/20 0.33
PLK1 P53350 1/20 0.33
PTK2 Q05397 1/20 0.33
AURKB Q96GD4 1/20 0.33
RPS6KB1 P23443 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL9932810 0.87 SMO (0.41) PRCPMEN1KMT2ASMOKDR
SCHEMBL9932143 0.87 SMO (0.37) PRCPMEN1KMT2ASMOKDR
SCHEMBL9968382 0.86 SMO (0.41) MEN1KMT2ASMO
SCHEMBL9932377 0.84 SMO (0.37) MEN1KMT2ASMOCYP2C9KDR
SCHEMBL9932538 0.83 SMO (0.37) PRCPMEN1KMT2ASMOCYP2C9
SCHEMBL9931789 0.83 PTPN11 (0.43) MEN1KMT2ASMOKDRPLK1
SCHEMBL9933199 0.81 PTPN11 (0.44) MEN1KMT2ASMOKDM4EMAPT
SCHEMBL9968340 0.81 MEN1 (0.40) MEN1KMT2ASMOKDM4EMAPT
SCHEMBL9932531 0.80 MEN1 (0.43) MEN1KMT2ASMOCYP2C9KDM4E
SCHEMBL9968459 0.79 MEN1 (0.42) MEN1KMT2ASMOCYP2C9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 US disclosed
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 US disclosed
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 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-20120157471-A1 BENZIMIDAZOLE DERIVATIVES SMO, RB1, GLI1 PRCP 1916/4885MEN1 1168/4885KMT2A 310/4885

“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.