Sugi Predict

Sugi Predict / Compounds / SCHEMBL18002138

SCHEMBL18002138

SCHEMBL18002138

C=CC(=O)Nc1cc(Nc2cc3c(cn2)ncn3-c2cccc(F)c2)ccc1N(C)C1CCN(C)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 9/20 0.40
▸ JAK3 P52333 8/20 0.40
▸ EGFR P00533 6/20 0.39
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ ATM Q13315 3/20 0.36
▸ SRC P12931 2/20 0.35
▸ STK16 O75716 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ FLT1 P17948 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ TEC P42680 1/20 0.35
▸ SLK Q9H2G2 1/20 0.35
▸ CDK9 P50750 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
SCHEMBL18001397 0.89 EGFR (0.41) BTKJAK3EGFRSRCFYN
SCHEMBL18001104 0.89 EGFR (0.49) EGFR
SCHEMBL18001127 0.87 BTK (0.56) BTKJAK3EGFR
SCHEMBL18001730 0.87 EGFR (0.40) BTKJAK3EGFRSRCFYN
SCHEMBL18001737 0.86 BTK (0.41) BTKJAK3EGFRGABRG2GABRB3
SCHEMBL18000988 0.83 EGFR (0.52) JAK3EGFRATM
SCHEMBL18001971 0.82 EGFR (0.38) BTKEGFR
SCHEMBL18002008 0.82 EGFR (0.38) BTKJAK3EGFRSRCTEC
SCHEMBL18000801 0.82 EGFR (0.38) BTKEGFR
SCHEMBL18001906 0.82 CHRM3 (0.39) BTKJAK3EGFRKDR

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-20210163423-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2021-06-03 — — US claimed
EP-3270694-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Neupharma, Inc. (US) 2018-01-24 — — EP claimed
US-20160304471-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2016-10-20 — — US claimed
WO-2016133935-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. (US) 2016-08-25 — — WO claimed
US-20210163423-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2021-06-03 — — US disclosed
US-10947201-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2021-03-16 — — US disclosed
US-20160304471-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2016-10-20 — — 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-20210163423-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 BTK 172/4885JAK3 110/4885EGFR 272/4885
US-10947201-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 BTK 172/4885JAK3 110/4885EGFR 272/4885
US-20160304471-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 BTK 172/4885JAK3 110/4885EGFR 272/4885

“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.