SCHEMBL25465405

SCHEMBL25465405

Cc1cc(C(F)(F)F)nn1-c1ccc(CN)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.48
ORAI1 Q96D31 2/20 0.48
KLKB1 P03952 2/20 0.40
MAPT P10636 2/20 0.40
PTGS2 P35354 8/20 0.39
F10 P00742 1/20 0.38
TSHR P16473 2/20 0.38
PDPK1 O15530 2/20 0.38
PTGS1 P23219 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGES O14684 1/20 0.38
HDAC3 O15379 1/20 0.38
CA12 O43570 1/20 0.38
PDE5A O76074 1/20 0.38
ABCB11 O95342 1/20 0.38
MT-CO2 P00403 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
SCHEMBL31497601 0.86 STIM1 (0.48) STIM1ORAI1PTGS2F10
SCHEMBL31504003 0.86 STIM1 (0.48) STIM1ORAI1MAPTPTGS2F10
SCHEMBL18865512 0.80 KLKB1 (0.49) STIM1ORAI1KLKB1MAPTPTGS2
SCHEMBL28744271 0.77 PTGS2 (0.69) PTGS2TSHRPDPK1PTGS1LMNA
SCHEMBL18163944 0.76 PTGS2 (0.55) STIM1ORAI1MAPTPTGS2TSHR
SCHEMBL31497624 0.76 STIM1 (0.46) STIM1ORAI1MAPTPTGS2TSHR
SCHEMBL25181380 0.76 STIM1 (0.46) STIM1ORAI1MAPTPTGS2TSHR
SCHEMBL14887387 0.75 PTGS2 (0.57) STIM1ORAI1MAPTPTGS2TSHR
SCHEMBL31497594 0.75 ALDH1A1 (0.47) STIM1ORAI1KLKB1MAPTPTGS2
SCHEMBL27978162 0.75 STIM1 (0.40) STIM1ORAI1KLKB1MAPTPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025129135-A2 COMPOSITIONS COMPRISING USP1 INHIBITORS AND METHODS OF USING THE SAME EIKON THERAPEUTICS, INC. (US) 2025-06-19 WO disclosed
US-20250034133-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF INSILICO MEDICINE IP LIMITED (HK) 2025-01-30 US disclosed
CN-119173512-A Small molecule inhibitors of ubiquitin-specific protease 1 (USP 1) and uses thereof 英矽智能科技知识产权有限公司 2024-12-20 CN disclosed
EP-4430041-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF Insilico Medicine IP Limited (HK) 2024-09-18 EP disclosed
WO-2023083297-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-05-19 WO disclosed
WO-2023083297-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-05-19 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 (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-20250034133-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF USP1, USP2, USP28 STIM1 3500/4885ORAI1 4660/4885KLKB1 1059/4885

“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.