Sugi Predict

Sugi Predict / Compounds / SCHEMBL14829481

SCHEMBL14829481

SCHEMBL14829481

N#Cc1cnc2ccc(C(=O)c3c(F)ccc(O)c3Cl)cc2n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD17B14 Q9BPX1 7/20 0.39
▸ HSD17B1 P14061 7/20 0.39
▸ HSD17B2 P37059 7/20 0.39
▸ KCNQ3 O43525 1/20 0.36
▸ KCNQ2 O43526 1/20 0.36
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2B6 P20813 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ EIF4EBP1 Q13541 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ ENPP1 P22413 1/20 0.32

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
SCHEMBL14829850 0.89 HSD17B1 (0.41) HSD17B14HSD17B1HSD17B2KCNQ3KCNQ2
SCHEMBL14829666 0.83 HSD17B1 (0.41) HSD17B14HSD17B1HSD17B2CYP1A2CYP3A4
SCHEMBL14829835 0.82 HSD17B14 (0.38) HSD17B14HSD17B1HSD17B2KCNQ3KCNQ2
SCHEMBL14830158 0.80 XDH (0.41) EIF4EBP1
SCHEMBL14829539 0.80 HSD17B1 (0.43) HSD17B14HSD17B1HSD17B2CYP1A2CYP3A4
SCHEMBL14716219 0.79 MAP3K8 (0.42) HSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL14830303 0.79 MRGPRX4 (0.42) —
SCHEMBL14716333 0.78 BRAF (0.47) CYP3A4CYP2C9CYP2C19
SCHEMBL14741530 0.78 CHEK1 (0.33) KCNQ3KCNQ2S1PR1S1PR3
SCHEMBL14829841 0.78 EGFR (0.41) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249111-B2 Substituted quinoxalines as B-RAF kinase inhibitors NEUPHARMA, INC. (US) 2016-02-02 — — US claimed
US-20140343068-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2014-11-20 — — US claimed
WO-2013049701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. (US) 2013-04-04 — — WO claimed
US-20170050938-A1 SUBSTITUTED QUINOXALINES AS B-RAF KINASE INHIBITORS NEUPHARMA, INC. 2017-02-23 — — US disclosed
US-9249111-B2 Substituted quinoxalines as B-RAF kinase inhibitors NEUPHARMA, INC. (US) 2016-02-02 — — US disclosed
US-20140343068-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2014-11-20 — — US disclosed
WO-2013049701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. (US) 2013-04-04 — — 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-20140343068-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, RAF1 HSD17B14 265/4885HSD17B1 2306/4885HSD17B2 2582/4885
US-20170050938-A1 SUBSTITUTED QUINOXALINES AS B-RAF KINASE INHIBITORS BRAF, RAF1, ARAF HSD17B14 1859/4885HSD17B1 4455/4885HSD17B2 4459/4885

“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.