SCHEMBL22676597

SCHEMBL22676597

C=CC(=O)Nc1ccc(-c2[nH]c3ncnc(N)c3c2-c2ccc(C(=O)N3CCCC3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.50
▸ BTK Q06187 2/20 0.50
▸ SRC P12931 1/20 0.50
▸ BLK P51451 1/20 0.50
▸ ITK Q08881 1/20 0.50
▸ ERBB2 P04626 6/20 0.45
▸ TGM2 P21980 1/20 0.44
▸ CCNK O75909 6/20 0.43
▸ CDK12 Q9NYV4 6/20 0.43
▸ TNK2 Q07912 1/20 0.43
▸ CCNA2 P20248 2/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ CDK7 P50613 2/20 0.42
▸ CCNH P51946 2/20 0.42
▸ MNAT1 P51948 2/20 0.42
▸ ATR Q13535 2/20 0.41
▸ PRKDC P78527 1/20 0.41

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
SCHEMBL30303260 1.00 EGFR (0.50) EGFRBTKSRCBLKITK
SCHEMBL30303348 0.86 TNK2 (0.43) EGFRBTKSRCBLKITK
SCHEMBL22676645 0.86 TNK2 (0.43) EGFRBTKSRCBLKITK
SCHEMBL24773365 0.84 BTK (0.54) EGFRBTKSRCBLKITK
SCHEMBL30303699 0.81 FGFR1 (0.53) EGFRBTKSRCBLKITK
SCHEMBL22676646 0.81 FGFR1 (0.53) EGFRBTKSRCBLKITK
SCHEMBL22676808 0.78 BTK (0.49) EGFRBTKSRCBLKITK
SCHEMBL25714644 0.78 BTK (0.55) EGFRBTKSRCBLKITK
SCHEMBL22138109 0.76 TGM2 (0.72) EGFRBTKSRCBLKITK
SCHEMBL22676513 0.75 BTK (0.47) EGFRBTKSRCBLKITK

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 EGFR 16/4885BTK 39/4885SRC 18/4885
US-20230104574-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF FGFR3, FGFR2, FGFR1 EGFR 16/4885BTK 39/4885SRC 18/4885
US-11780845-B2 FGFR inhibitors and methods of use thereof FGFR3, FGFR2, FGFR1 EGFR 16/4885BTK 39/4885SRC 18/4885

“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.

Send feedback