SCHEMBL1944293

SCHEMBL1944293

O=C(O)c1cccc(-c2ccncc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
ACMSD Q8TDX5 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
ECE1 P42892 1/20 0.53
LMNA P02545 2/20 0.47
NAPRT Q6XQN6 2/20 0.47
P4HTM Q9NXG6 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.46
ERN1 O75460 1/20 0.46
DHODH Q02127 1/20 0.45
CDC7 O00311 1/20 0.44
DBF4 Q9UBU7 1/20 0.44
MAP2K3 P46734 1/20 0.44
SCN9A Q15858 3/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL208097 0.86 KDM4E (0.64) KDM4EALOX15TSHRACMSDTDP1
Hydrochloric Acid SCHEMBL29133274 0.85 KDM4E (0.61) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL29911672 0.84 SCN9A (0.57) IRAK4CDC7DBF4MAP2K3SCN9A
SCHEMBL28052676 0.84 SCN9A (0.57) IRAK4CDC7DBF4MAP2K3SCN9A
SCHEMBL3207980 0.83 KDM4E (0.59) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL30185199 0.82 IRAK4 (0.58) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL29357675 0.82 KDM4E (0.76) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL70765 0.82 KDM4E (0.76) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL244468 0.80 SMN1; SMN2 (0.56) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL5671070 0.80 KDM4E (0.55) KDM4EALOX15TSHRACMSDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951086-B2 Indazolecarboxamides, processes for their preparation, pharmaceutical preparations comprising them and their use for producing medicaments BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-24 US disclosed
US-20160311833-A1 NOVEL INDAZOLECARBOXAMIDES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS COMPRISING THEM AND THEIR USE FOR PRODUCING MEDICAMENTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-27 US disclosed
EP-2791130-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLU5 RECEPTORS BOEHRINGER INGELHEIM INT (DE) 2016-03-16 EP disclosed
US-20130150377-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof SHIONOGI & CO., LTD. (JP) 2013-06-13 US disclosed
US-8324249-B2 Tetrahydropyridinyl and dihydropyrrolyl compounds and the use thereof PURDUE PHARMA L.P. (US) 2012-12-04 US disclosed
US-20110136833-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof SHINOGI & CO., LTD. (JP) 2011-06-09 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 (3 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-20130150377-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof TRPV1, CACNA1A, CACNA1E KDM4E 1591/4885ALOX15 2286/4885TSHR 3341/4885
US-20160311833-A1 NOVEL INDAZOLECARBOXAMIDES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS COMPRISING THEM AND THEIR USE FOR PRODUCING MEDICAMENTS MALT1, APC, UACA KDM4E 1366/4885ALOX15 1777/4885TSHR 2968/4885
US-20110136833-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof TRPV1, CACNA1A, CACNA1E KDM4E 1591/4885ALOX15 2286/4885TSHR 3341/4885

“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.