SCHEMBL22676145

SCHEMBL22676145

Cc1cccc(Oc2ccc(-c3c(-c4cnc(C#N)nc4)n(C)c4ncnc(N)c34)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.43
KDR P35968 9/20 0.41
TEK Q02763 8/20 0.41
LCK P06239 7/20 0.41
NUDT14 O95848 1/20 0.40
NUDT5 Q9UKK9 1/20 0.40
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
FGFR3 P22607 1/20 0.38
CYP2C19 P33261 1/20 0.38
SRC P12931 2/20 0.36
BTK Q06187 4/20 0.36
PIK3CD O00329 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
HCK P08631 1/20 0.36

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
SCHEMBL30303433 1.00 LRRK2 (0.43) LRRK2KDRTEKLCKNUDT14
SCHEMBL22675789 0.85 CYP3A4 (0.44) LRRK2KDRTEKLCKNUDT14
SCHEMBL30303885 0.85 CYP3A4 (0.44) LRRK2KDRTEKLCKNUDT14
SCHEMBL25716101 0.84 LCK (0.40) LRRK2KDRTEKLCKNUDT14
SCHEMBL22676444 0.83 CYP3A4 (0.41) LRRK2KDRTEKLCKNUDT14
SCHEMBL30303596 0.83 CYP3A4 (0.41) LRRK2KDRTEKLCKNUDT14
SCHEMBL25716098 0.80 LCK (0.45) KDRTEKLCKNUDT14NUDT5
SCHEMBL22678110 0.78 LCK (0.41) KDRTEKLCKNUDT14NUDT5
SCHEMBL22676154 0.78 CYP3A4 (0.49) LRRK2KDRTEKLCKNUDT14
SCHEMBL22678109 0.78 LCK (0.41) KDRTEKLCKNUDT14NUDT5

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 LRRK2 186/4885KDR 80/4885TEK 184/4885
US-20230104574-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF FGFR3, FGFR2, FGFR1 LRRK2 186/4885KDR 80/4885TEK 184/4885
US-11780845-B2 FGFR inhibitors and methods of use thereof FGFR3, FGFR2, FGFR1 LRRK2 186/4885KDR 80/4885TEK 184/4885

“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.