SCHEMBL2900643

SCHEMBL2900643

O=C(Nc1ccc(N2CCCC2)nc1)c1cc2ccc(C(F)(F)F)cc2n1Cc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
STAT3 P40763 1/20 0.49
KDM4E B2RXH2 4/20 0.47
POLB P06746 1/20 0.47
HIF1A Q16665 1/20 0.46
EPAS1 Q99814 1/20 0.46
ALDH1A1 P00352 1/20 0.44
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
MCHR1 Q99705 4/20 0.44
CCR2 P41597 1/20 0.43
DGAT1 O75907 4/20 0.43
PKM P14618 1/20 0.43
KDR P35968 1/20 0.42
SRPK2 P78362 1/20 0.42
SRPK1 Q96SB4 1/20 0.42
SRPK3 Q9UPE1 1/20 0.42

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
SCHEMBL2895485 0.93 MAPT (0.49) MAPTSMN1; SMN2STAT3KDM4EPOLB
SCHEMBL1100295 0.87 MAPT (0.47) MAPTSMN1; SMN2STAT3KDM4EPOLB
SCHEMBL2899203 0.86 KDM4E (0.47) MAPTSMN1; SMN2STAT3KDM4EPOLB
SCHEMBL940929 0.86 FASN (0.42) MAPTSMN1; SMN2STAT3KCNQ3KCNQ2
SCHEMBL1100463 0.85 MAPT (0.47) MAPTSMN1; SMN2STAT3KDM4EPOLB
SCHEMBL1100186 0.85 PPARG (0.46) MAPTSMN1; SMN2STAT3KDM4EPOLB
SCHEMBL2898446 0.84 KCNQ3 (0.49) MAPTSMN1; SMN2STAT3KCNQ3KCNQ2
SCHEMBL2899019 0.83 KCNQ3 (0.47) MAPTSMN1; SMN2STAT3KCNQ3KCNQ2
SCHEMBL940546 0.82 PPARG (0.47) MAPTSMN1; SMN2STAT3KDM4EPOLB
SCHEMBL2899837 0.81 KDM4E (0.47) MAPTSMN1; SMN2STAT3KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586573-B2 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof SANOFI (FR) 2013-11-19 US disclosed
US-20100286119-A1 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2010-11-11 US disclosed
US-7786104-B2 N-(aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2010-08-31 US disclosed
EP-2049525-B1 N-(AMINOHETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, AND PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI AVENTIS (FR) 2009-12-30 EP disclosed
US-20090156573-A1 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2009-06-18 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 (2 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-20100286119-A1 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof IDO1, IDO2, TPH1 MAPT 2841/4885SMN1; SMN2 1882/4885STAT3 1714/4885
US-20090156573-A1 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof IDO1, IDO2, TPH1 MAPT 2841/4885SMN1; SMN2 1882/4885STAT3 1714/4885

“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.