SCHEMBL22676645

SCHEMBL22676645

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 1/20 0.43
▸ ATR Q13535 4/20 0.41
▸ PRKDC P78527 2/20 0.41
▸ RET P07949 1/20 0.40
▸ BTK Q06187 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ METTL3 Q86U44 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ FGFR2 P21802 1/20 0.38
▸ FGFR4 P22455 1/20 0.38

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
SCHEMBL30303348 1.00 TNK2 (0.43) TNK2ATRPRKDCRETBTK
SCHEMBL30303260 0.86 EGFR (0.50) TNK2ATRPRKDCBTKEGFR
SCHEMBL22676597 0.86 EGFR (0.50) TNK2ATRPRKDCBTKEGFR
SCHEMBL22676685 0.84 ALDH1A1 (0.42) ALDH1A1TP53HTTCYP3A4CYP2C9
SCHEMBL30303824 0.84 ALDH1A1 (0.42) ALDH1A1TP53HTTCYP3A4CYP2C9
SCHEMBL22676704 0.83 BTK (0.43) ATRPRKDCBTKHPGDALDH1A1
SCHEMBL22676651 0.82 FGFR1 (0.56) ATRPRKDCRETBTKHPGD
SCHEMBL22676224 0.82 FGFR1 (0.55) ATRPRKDCRETBTKHPGD
SCHEMBL22676226 0.82 FGFR1 (0.55) ATRPRKDCRETBTKHPGD
SCHEMBL30303729 0.82 FGFR1 (0.55) ATRPRKDCRETBTKHPGD

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 TNK2 346/4885ATR 2141/4885PRKDC 159/4885
US-20230104574-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF FGFR3, FGFR2, FGFR1 TNK2 346/4885ATR 2141/4885PRKDC 159/4885
US-11780845-B2 FGFR inhibitors and methods of use thereof FGFR3, FGFR2, FGFR1 TNK2 346/4885ATR 2141/4885PRKDC 159/4885

“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