SCHEMBL12688472

SCHEMBL12688472

Cc1cccc(NC(=O)N2CCc3cc(O)ccc32)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.61
HTR2A P28223 6/20 0.61
RAB9A P51151 5/20 0.55
NPC1 O15118 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
TP53 P04637 4/20 0.55
NFKB1 P19838 3/20 0.55
NFKB2 Q00653 3/20 0.55
RELA Q04206 3/20 0.55
MAPT P10636 4/20 0.55
PKM P14618 2/20 0.55
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PTPN11 Q06124 1/20 0.49
LMNA P02545 1/20 0.49
NOTUM Q6P988 1/20 0.49

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
SCHEMBL2481583 0.82 HTR2A (0.64) HTR2CHTR2ARAB9ANPC1SMN1; SMN2
SCHEMBL14826631 0.82 HTR2C (0.74) HTR2CHTR2ARAB9ANPC1SMN1; SMN2
SCHEMBL13536431 0.81 HTR2C (0.65) HTR2CHTR2ARAB9ANPC1SMN1; SMN2
SCHEMBL14089574 0.78 LMNA (0.71) RAB9ANPC1SMN1; SMN2TP53NFKB1
SCHEMBL13190423 0.78 DGAT1 (0.62) HTR2CHTR2ARAB9ANPC1SMN1; SMN2
SCHEMBL4866075 0.78 TP53 (0.59) HTR2CHTR2ARAB9ANPC1SMN1; SMN2
SCHEMBL5113702 0.77 ADRB2 (0.56) HTR2CHTR2ARAB9ANPC1SMN1; SMN2
SCHEMBL12372352 0.76 PTPN11 (0.88) PTPN11
SCHEMBL4867152 0.76 TP53 (0.64) HTR2CHTR2ARAB9ANPC1SMN1; SMN2
SCHEMBL24064690 0.75 HTR2A (0.58) HTR2CHTR2ARAB9ANPC1SMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541432-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2013-09-24 US disclosed
US-8501756-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2013-08-06 US disclosed
US-8492393-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2013-07-23 US disclosed
US-8486954-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2013-07-16 US disclosed
US-8431584-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2013-04-30 US disclosed
US-20130012529-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2013-01-10 US disclosed
US-20130005750-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2013-01-03 US disclosed
US-20130005753-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2013-01-03 US disclosed
US-20130005751-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2013-01-03 US disclosed
US-20120245187-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2012-09-27 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 (5 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-20130005753-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES CDK2, PHKG1, PHKG2 HTR2C 3215/4885HTR2A 3021/4885RAB9A 2155/4885
US-20120245187-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES CDK2, PHKG1, PHKG2 HTR2C 3215/4885HTR2A 3021/4885RAB9A 2155/4885
US-20130005751-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES CDK2, PHKG1, PHKG2 HTR2C 3215/4885HTR2A 3021/4885RAB9A 2155/4885
US-20130005750-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES CDK2, PHKG1, PHKG2 HTR2C 3215/4885HTR2A 3021/4885RAB9A 2155/4885
US-20130012529-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES CDK2, PHKG1, PHKG2 HTR2C 3215/4885HTR2A 3021/4885RAB9A 2155/4885

“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.