SCHEMBL12440185

SCHEMBL12440185

Fc1ccc(Cl)cc1-c1cc(-c2cncc3cnccc23)c2cccnc2n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.41
PRKD3 O94806 1/20 0.41
PRKD1 Q15139 1/20 0.41
PRKD2 Q9BZL6 1/20 0.41
IDO1 P14902 2/20 0.38
KDR P35968 1/20 0.38
PIM1 P11309 1/20 0.38
FLT3 P36888 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
CYP3A4 P08684 4/20 0.37
CYP1A2 P05177 3/20 0.37
ACP1 P24666 1/20 0.35
ACVRL1 P37023 2/20 0.35
ACVR1B P36896 1/20 0.35

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
SCHEMBL245808 0.92 CYP11B2 (0.39) TGFBR1PRKD3PRKD1PRKD2IDO1
SCHEMBL244421 0.90 KDR (0.47) TGFBR1PRKD3PRKD1PRKD2IDO1
SCHEMBL3390023 0.88 TGFBR1 (0.40) TGFBR1PRKD3PRKD1PRKD2IDO1
SCHEMBL245961 0.87 TGFBR1 (0.39) TGFBR1PRKD3PRKD1PRKD2IDO1
SCHEMBL247583 0.87 NPC1 (0.44) TGFBR1IDO1KDRPIM1FLT3
SCHEMBL247224 0.86 TBK1 (0.46) TGFBR1PRKD3PRKD1PRKD2IDO1
SCHEMBL21756156 0.86 TGFBR1 (0.39) TGFBR1PRKD3PRKD1PRKD2IDO1
SCHEMBL3379333 0.86 IDO1 (0.39) TGFBR1PRKD3PRKD1PRKD2IDO1
SCHEMBL3390252 0.85 TGFBR1 (0.40) TGFBR1PRKD3PRKD1PRKD2IDO1
SCHEMBL12440277 0.84 RPS6KA3 (0.43) TGFBR1PRKD3PRKD1PRKD2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585461-B1 2,4-DIARYL-SUBSTITUTED [1,8]NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GMBH (DE) 2020-02-26 EP disclosed
EP-2531500-B1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-01-24 EP disclosed
US-8912216-B2 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-12-16 US disclosed
US-8912216-B2 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-12-16 US disclosed
US-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-02-06 US disclosed
US-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-02-06 US disclosed
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2012-11-22 US disclosed
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2012-11-22 US disclosed
WO-2011095196-A1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-08-11 WO 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-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D TGFBR1 2919/4885PRKD3 1350/4885PRKD1 898/4885
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D TGFBR1 2919/4885PRKD3 1350/4885PRKD1 898/4885

“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.