SCHEMBL22676800

SCHEMBL22676800

C=C(C)C(=O)Nc1ccc(-c2c(-c3ccc(Oc4cccc(C)n4)cc3)c3c(N)ncnc3n2C)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ FGFR1 P11362 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ FGFR2 P21802 1/20 0.55
▸ FGFR4 P22455 1/20 0.55
▸ FGFR3 P22607 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ BTK Q06187 17/20 0.39
▸ BLK P51451 2/20 0.37
▸ RET P07949 2/20 0.37
▸ EGFR P00533 1/20 0.37
▸ ERBB2 P04626 1/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ TEC P42680 1/20 0.37
▸ TXK P42681 1/20 0.37
▸ BMX P51813 1/20 0.37
▸ ITK Q08881 1/20 0.37
▸ ERBB4 Q15303 1/20 0.37

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
SCHEMBL30303321 1.00 CYP3A4 (0.55) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL30303590 0.92 FGFR1 (0.65) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL22675924 0.92 FGFR1 (0.65) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL30303891 0.90 FGFR1 (0.59) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL22676533 0.90 FGFR1 (0.59) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL22676106 0.87 CYP3A4 (0.56) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL30303548 0.87 CYP3A4 (0.56) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL22676220 0.86 FGFR1 (0.60) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL30303868 0.86 FGFR1 (0.60) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL22676639 0.85 CYP3A4 (0.53) CYP3A4CYP2D6FGFR1CYP2C9FGFR2

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 4283/4885CYP2D6 3833/4885FGFR1 3/4885
US-20230104574-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF FGFR3, FGFR2, FGFR1 CYP3A4 4283/4885CYP2D6 3833/4885FGFR1 3/4885
US-11780845-B2 FGFR inhibitors and methods of use thereof FGFR3, FGFR2, FGFR1 CYP3A4 4283/4885CYP2D6 3833/4885FGFR1 3/4885

“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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