SCHEMBL9971192

SCHEMBL9971192

C[C@H]1CN(c2cc(-c3nc4ccccc4n3C)c(I)cn2)CCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 2/20 0.40
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
HDAC1 Q13547 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ACVR1 Q04771 2/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
KHK P50053 1/20 0.37
PRKCQ Q04759 1/20 0.37
PRKCD Q05655 1/20 0.37
PDE10A Q9Y233 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL9971194 1.00 PIM2 (0.40) PIM2PIM1PIM3HDAC1OPRM1
SCHEMBL9932075 0.88 MEN1 (0.41) PIM2PIM1PIM3HDAC1OPRM1
SCHEMBL9933020 0.88 MEN1 (0.41) PIM2PIM1PIM3HDAC1OPRM1
SCHEMBL9971181 0.76 PDE10A (0.42) KDM4ENPC1RAB9APDE10AMEN1
SCHEMBL9971197 0.75 SMO (0.51) OPRM1OPRK1
SCHEMBL9971182 0.75 HSD11B1 (0.36) KDM4ENPC1RAB9APDE10AMEN1
SCHEMBL9971215 0.74 PDE10A (0.40) KDM4ENPC1RAB9APDE10AMEN1
SCHEMBL9931740 0.74 ADRB1 (0.44) KDM4ENPC1RAB9AACVR1PDE10A
SCHEMBL9932601 0.74 ADRB1 (0.44) KDM4ENPC1RAB9APDE10AMEN1
SCHEMBL9968326 0.73 MEN1 (0.42) PDE10AMEN1KMT2AMKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PIM2 1111/4885PIM1 950/4885PIM3 1026/4885

“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.