Sugi Predict

Sugi Predict / Compounds / SCHEMBL246499

SCHEMBL246499

SCHEMBL246499

Cc1cccc(-c2cc(-c3cncc4ccccc34)c3cccnc3n2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 6/20 0.43
▸ CYP2A6 P11509 1/20 0.40
▸ CYP11B1 P15538 3/20 0.39
▸ CYP11B2 P19099 3/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ CCR1 P32246 1/20 0.39
▸ CCR8 P51685 1/20 0.39
▸ CYP17A1 P05093 3/20 0.38
▸ MAPK14 Q16539 1/20 0.37
▸ KDR P35968 2/20 0.37
▸ ERBB2 P04626 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C8 P10632 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2B6 P20813 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ IKBKE Q14164 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
SCHEMBL12440018 0.81 CYP2A6 (0.47) TGFBR1CYP2A6CYP11B1CCR1CCR8
SCHEMBL3393742 0.80 CYP2A6 (0.40) TGFBR1CYP2A6CCR1CCR8MAPK14
SCHEMBL12270024 0.78 CCR1 (0.50) TGFBR1CYP2A6CYP11B1CYP11B2HTR2C
SCHEMBL14241409 0.77 CCR1 (0.50) TGFBR1CYP2A6CCR1CCR8MAPK14
SCHEMBL4172103 0.77 TGFBR1 (0.57) TGFBR1CYP11B1CYP11B2CCR1CCR8
SCHEMBL24569032 0.76 PRKCZ (0.42) TGFBR1CYP11B1CYP11B2CCR1CCR8
SCHEMBL3389418 0.76 TGFBR1 (0.45) TGFBR1CCR1CCR8MAPK14CYP3A4
SCHEMBL12424714 0.75 ADORA2A (0.48) TGFBR1CYP2A6CCR1CCR8MAPK14
SCHEMBL246878 0.75 ADORA1 (0.48) TGFBR1CYP2A6CCR1CCR8CYP3A4
SCHEMBL12424718 0.75 CCR1 (0.47) TGFBR1CYP2A6CCR1CCR8MAPK14

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791113-B2 2,4-diaryl-substituted [1,8] naphthyridines as kinase inhibitors for use against cancer MERCK PATENT GMBH (DE) 2014-07-29 — — US claimed
EP-2585461-A1 2,4- DIARYL - SUBSTITUTED [1,8]NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER Merck Patent GmbH (DE) 2013-05-01 — — EP claimed
US-20130102603-A1 2,4-DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-25 — — US claimed
WO-2012000595-A1 2,4- DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GMBH (DE) 2012-01-05 — — WO claimed
EP-2531500-B1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-01-24 — — 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-8912216-B2 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-12-16 — — US disclosed
US-8791113-B2 2,4-diaryl-substituted [1,8] naphthyridines as kinase inhibitors for use against cancer MERCK PATENT GMBH (DE) 2014-07-29 — — 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-20130102603-A1 2,4-DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-25 — — US disclosed
EP-2531500-A1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2012-12-12 — — EP 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
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2012-11-22 — — US disclosed
WO-2012000595-A1 2,4- DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GMBH (DE) 2012-01-05 — — WO disclosed
WO-2011095196-A1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-08-11 — — WO 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 (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-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D TGFBR1 2919/4885CYP2A6 456/4885CYP11B1 1067/4885
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D TGFBR1 2919/4885CYP2A6 456/4885CYP11B1 1067/4885
US-20130102603-A1 2,4-DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER TGFBR1, TAB1, TGFBR2 TGFBR1 1/4885CYP2A6 3842/4885CYP11B1 2966/4885

“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.