Sugi Predict

Sugi Predict / Compounds / SCHEMBL4758327

SCHEMBL4758327

SCHEMBL4758327

Fc1cc(F)c2c(Cl)ccnc2c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 13/20 0.40
▸ XIAP P98170 1/20 0.35
▸ BIRC2 Q13490 1/20 0.35
▸ FERMT2 Q96AC1 1/20 0.34
▸ KMO O15229 1/20 0.33
▸ EPHB4 P54760 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ CCNC P24863 1/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.31

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
SCHEMBL29622975 1.00 AAK1 (0.40) AAK1XIAPBIRC2FERMT2KMO
SCHEMBL6473651 0.81 CYP1A2 (0.34) AAK1KMOEPHB4
SCHEMBL6033046 0.81 AAK1 (0.32) AAK1
SCHEMBL16110837 0.77 AAK1 (0.34) AAK1XIAPBIRC2FERMT2CCNC
SCHEMBL17490355 0.77 AAK1 (0.42) AAK1XIAPBIRC2FERMT2
SCHEMBL22972418 0.77 AAK1 (0.34) AAK1XIAPBIRC2FERMT2CCNC
SCHEMBL29622889 0.77 AAK1 (0.34) AAK1XIAPBIRC2FERMT2CCNC
SCHEMBL6004735 0.77 KMO (0.33) KMOEPHB4LRRK2
SCHEMBL9984695 0.74 PARP1 (0.44) —
SCHEMBL16132325 0.73 AAK1 (0.41) AAK1XIAPBIRC2FERMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360131-A1 BIARYL KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2024-10-31 — — US disclosed
US-12065437-B2 Biaryl kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-20 — — US disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 — — US disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 — — US disclosed
WO-2023205778-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 — — WO disclosed
US-20220388979-A1 QUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. PHARMA (BE) 2022-12-08 — — US disclosed
US-20210277001-A1 BIARYL KINASE INHIBITORS Cosmic Pet LLC 2021-09-09 — — US disclosed
US-10981910-B2 Biaryl kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-04-20 — — US disclosed
WO-2021023888-A1 ISOQUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. PHARMA (BE) 2021-02-11 — — WO disclosed
CN-112142655-A Biaryl kinase inhibitors 百时美施贵宝公司 2020-12-29 — — CN disclosed
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2012-05-17 — — US disclosed
US-7981891-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2011-07-19 — — US disclosed
US-7981891-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2011-07-19 — — US disclosed
US-20100280008-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2010-11-04 — — US disclosed
US-20100280008-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2010-11-04 — — US disclosed
US-7776857-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2010-08-17 — — US disclosed
US-7776857-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2010-08-17 — — US disclosed
US-20090069297-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-03-12 — — US disclosed
US-20090069297-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-03-12 — — US disclosed
WO-2008124083-A2 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2008-10-16 — — 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 (9 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-20090069297-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 AAK1 118/4885XIAP 1552/4885BIRC2 1336/4885
US-10981910-B2 Biaryl kinase inhibitors AAK1, NCK1, MARCKS AAK1 1/4885XIAP 334/4885BIRC2 504/4885
US-20220388979-A1 QUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ABL1, PHKB, EEF2K AAK1 286/4885XIAP 390/4885BIRC2 685/4885
US-20100280008-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 AAK1 118/4885XIAP 1552/4885BIRC2 1336/4885
US-20210277001-A1 BIARYL KINASE INHIBITORS AAK1, NCK1, MARCKS AAK1 1/4885XIAP 334/4885BIRC2 504/4885
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 AAK1 2122/4885XIAP 2523/4885BIRC2 3739/4885
US-12065437-B2 Biaryl kinase inhibitors AAK1, NCK1, MARCKS AAK1 1/4885XIAP 334/4885BIRC2 504/4885
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 AAK1 118/4885XIAP 1552/4885BIRC2 1336/4885
US-20240360131-A1 BIARYL KINASE INHIBITORS AAK1, NCK1, MARCKS AAK1 1/4885XIAP 334/4885BIRC2 504/4885

“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.