SCHEMBL22676308

SCHEMBL22676308

C=C(C)C(=O)Nc1ccc(-c2c(-c3ccc(C(=O)N4CCC5(CC5)C4)cc3)c3c(N)ncnc3n2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.52
▸ FGFR1 P11362 3/20 0.52
▸ FGFR2 P21802 3/20 0.52
▸ FGFR3 P22607 3/20 0.52
▸ CYP2C9 P11712 3/20 0.52
▸ FGFR4 P22455 2/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ RET P07949 8/20 0.37
▸ USP2 O75604 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ NAMPT P43490 2/20 0.36
▸ METTL3 Q86U44 1/20 0.35
▸ CCNK O75909 2/20 0.35
▸ CDK12 Q9NYV4 2/20 0.35
▸ TSHR P16473 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
SCHEMBL30303767 1.00 CYP3A4 (0.52) CYP3A4FGFR1FGFR2FGFR3CYP2C9
SCHEMBL22675953 0.97 CYP3A4 (0.51) CYP3A4FGFR1FGFR2FGFR3CYP2C9
SCHEMBL30303272 0.95 CYP3A4 (0.51) CYP3A4FGFR1FGFR2FGFR3CYP2C9
SCHEMBL22675950 0.95 CYP3A4 (0.51) CYP3A4FGFR1FGFR2FGFR3CYP2C9
SCHEMBL22675952 0.95 CYP3A4 (0.53) CYP3A4FGFR1FGFR2FGFR3CYP2C9
SCHEMBL30303636 0.95 CYP3A4 (0.53) CYP3A4FGFR1FGFR2FGFR3CYP2C9
SCHEMBL22676978 0.94 CYP3A4 (0.49) CYP3A4FGFR1FGFR2FGFR3CYP2C9
SCHEMBL30303757 0.92 FGFR1 (0.53) CYP3A4FGFR1FGFR2FGFR3CYP2C9
SCHEMBL22675947 0.92 FGFR1 (0.53) CYP3A4FGFR1FGFR2FGFR3CYP2C9
SCHEMBL25129383 0.91 FGFR1 (0.52) CYP3A4FGFR1FGFR2FGFR3CYP2C9

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
EP-4306529-A2 FGFR INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2024-01-17 — — EP disclosed
US-11780845-B2 FGFR inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2023-10-10 — — US disclosed
US-11780845-B2 FGFR inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2023-10-10 — — US disclosed
US-20230192709-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2023-06-22 — — US disclosed
US-20230192709-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2023-06-22 — — US disclosed
US-20230104574-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF D.E. SHAW RESEARCH, LLC 2023-04-06 — — US disclosed
WO-2020231990-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2020-11-19 — — 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-20230192709-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF FGFR3, FGFR2, FGFR1 CYP3A4 4283/4885FGFR1 3/4885FGFR2 2/4885
US-20230104574-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF FGFR3, FGFR2, FGFR1 CYP3A4 4283/4885FGFR1 3/4885FGFR2 2/4885
US-11780845-B2 FGFR inhibitors and methods of use thereof FGFR3, FGFR2, FGFR1 CYP3A4 4283/4885FGFR1 3/4885FGFR2 2/4885

“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.

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