SCHEMBL7918116

SCHEMBL7918116

CCc1cc2cn[nH]c2cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.49
CHEK1 O14757 1/20 0.44
FGFR2 P21802 4/20 0.41
FGFR1 P11362 3/20 0.41
TGFBR1 P36897 1/20 0.40
CTNNB1 P35222 2/20 0.40
WNT3A P56704 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 1/20 0.40
AXL P30530 1/20 0.40
METAP2 P50579 2/20 0.39
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
TYK2 P29597 2/20 0.38
JAK3 P52333 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 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
SCHEMBL27445825 0.93 TRPA1 (0.52) TRPA1CHEK1FGFR2FGFR1TGFBR1
SCHEMBL24455226 0.85 TRPA1 (0.54) TRPA1CHEK1KDM4EMAPK1AXL
SCHEMBL17920385 0.82 CHEK1 (0.48) TRPA1CHEK1FGFR2FGFR1CTNNB1
Hydrochloric Acid SCHEMBL17442720 0.81 CHEK1 (0.47) TRPA1CHEK1FGFR2FGFR1CTNNB1
SCHEMBL27604935 0.80 CTNNB1 (0.43) TRPA1CHEK1FGFR2FGFR1CTNNB1
SCHEMBL27227853 0.79 CHEK1 (0.63) TRPA1CHEK1KDM4EMAPK1AXL
SCHEMBL12311136 0.79 AXL (0.51) TRPA1CHEK1CTNNB1WNT3AKDM4E
SCHEMBL14738406 0.78 CHEK1 (0.56) TRPA1CHEK1FGFR2FGFR1KDM4E
SCHEMBL17447307 0.78 KLKB1 (0.41) TRPA1CHEK1FGFR2FGFR1TGFBR1
SCHEMBL7989217 0.77 TRPA1 (0.48) TRPA1CHEK1KDM4EMAPK1AXL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11649255-B2 Indazoles as hematopoietic progenitor kinase 1 (HPK1) inhibitors and methods using same 1ST Biotherapeutics, Inc. (KR) 2023-05-16 US disclosed
US-20220098193-A1 INDAZOLES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS AND METHODS USING SAME 1ST Biotherapeutics, Inc. 2022-03-31 US disclosed
WO-2010052569-A2 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2010-05-14 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 (2 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-11649255-B2 Indazoles as hematopoietic progenitor kinase 1 (HPK1) inhibitors and methods using same IP6K1, HIPK1, IP6K3 TRPA1 4861/4885CHEK1 179/4885FGFR2 1384/4885
US-20220098193-A1 INDAZOLES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS AND METHODS USING SAME IP6K1, HIPK1, IP6K3 TRPA1 4861/4885CHEK1 179/4885FGFR2 1384/4885

“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.