SCHEMBL26199891

SCHEMBL26199891

N#Cc1ccc(-c2ccc(C(F)(F)F)cc2)nc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.46
CTSS P25774 2/20 0.44
CTSK P43235 1/20 0.44
MEN1 O00255 7/20 0.43
KMT2A Q03164 7/20 0.43
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 5/20 0.43
CYP1A2 P05177 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP2C19 P33261 2/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
SCN9A Q15858 1/20 0.40
CASP1 P29466 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPT P10636 1/20 0.39
AR P10275 1/20 0.38
ALOX5 P09917 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
SCHEMBL9849520 0.82 CTSS (0.62) CTSSCTSKMEN1KMT2AKDM4E
SCHEMBL1919134 0.82 MEN1 (0.59) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL1918785 0.82 MEN1 (0.55) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL9849528 0.80 KDM4E (0.47) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL19220972 0.79 KDM4E (0.51) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL1323377 0.79 MEN1 (0.43) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL1904903 0.78 CYP1A2 (0.53) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL1322477 0.76 CA12 (0.51)
SCHEMBL13906450 0.76 CASP1 (0.42) KIF11CASP1ALOX5TRPV3
SCHEMBL17498399 0.75 ALDH1A1 (0.70) MEN1KMT2AKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030866-B2 2-pyrazole anilines and related analogs for inhibiting YAP/TAZ-TEAD SPRINGWORKS THERAPEUTICS, INC. (US) 2024-07-09 US disclosed
US-20230278982-A1 2-Pyrazole Anilines and Related Analogs for Inhibiting YAP/TAZ-TEAD KU LEUVEN R&D (BE) 2023-09-07 US 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-20230278982-A1 2-Pyrazole Anilines and Related Analogs for Inhibiting YAP/TAZ-TEAD YAP1, TEAD3, TEAD2 KIF11 3719/4885CTSS 3793/4885CTSK 3198/4885
US-12030866-B2 2-pyrazole anilines and related analogs for inhibiting YAP/TAZ-TEAD YAP1, TEAD3, TEAD2 KIF11 3719/4885CTSS 3793/4885CTSK 3198/4885

“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.