SCHEMBL29964358

SCHEMBL29964358

FC(F)(F)c1ccc2c(c1)CCN=C2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.36
PNMT P11086 4/20 0.35
PARP1 P09874 1/20 0.35
PARP10 Q53GL7 1/20 0.35
TDP2 O95551 1/20 0.35
HTR2A P28223 3/20 0.33
HTR2C P28335 3/20 0.33
HTR2B P41595 3/20 0.33
EPHX2 P34913 1/20 0.33
SCN4A P35499 1/20 0.33
KIF11 P52732 1/20 0.33
POLB P06746 1/20 0.33
MAPK10 P53779 1/20 0.32
RIPK1 Q13546 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL28293217 1.00 NOTUM (0.36) NOTUMPNMTPARP1PARP10TDP2
SCHEMBL28179870 0.86 PARP1 (0.38) PNMTPARP1PARP10TDP2HTR2A
SCHEMBL28061563 0.77 KIF11 (0.46) TDP2KIF11
SCHEMBL9573203 0.76 CYP19A1 (0.33) NOTUMPARP1PARP10KMT2A
SCHEMBL30074109 0.74 PNMT (0.39) NOTUMPNMTPARP1PARP10TDP2
SCHEMBL3863140 0.72 CASP1 (0.37) MEN1KMT2A
SCHEMBL29769963 0.72 CASP1 (0.37) MEN1KMT2A
SCHEMBL30025550 0.72 ADRA2A (0.34) NOTUMPARP1PARP10POLB
SCHEMBL17288395 0.72 NOTUM (0.38) NOTUMPNMTPARP1PARP10TDP2
SCHEMBL28191945 0.72

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
CN-112094229-B Synthesis method of 6- (trifluoromethyl) isoquinoline-5-alcohol 苏州康润医药有限公司 2022-11-22 CN claimed
US-20240299360-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD (CN) 2024-09-12 US disclosed
CN-112094229-B Synthesis method of 6- (trifluoromethyl) isoquinoline-5-alcohol 苏州康润医药有限公司 2022-11-22 CN 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 (1 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-20240299360-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF ADAMTS5, ADAMTS4, ADAMTS1 NOTUM 2188/4885PNMT 4767/4885PARP1 1543/4885

“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.