SCHEMBL15836880

SCHEMBL15836880

Cc1cnc(Cl)nc1NC(CO)c1c(F)cccc1F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 1/20 0.41
▸ WDR48 Q8TAF3 1/20 0.41
▸ ROCK2 O75116 8/20 0.38
▸ ROCK1 Q13464 8/20 0.38
▸ ALDH1A1 P00352 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ AURKA O14965 2/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CXCR2 P25025 2/20 0.33
▸ NTRK1 P04629 1/20 0.32
▸ CCNT1 O60563 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ HDAC6 Q9UBN7 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
SCHEMBL15836876 0.87 NTRK1 (0.39) ROCK2ROCK1ALDH1A1L3MBTL1KMT2A
SCHEMBL27717397 0.81 NTRK1 (0.48) USP1WDR48LMNAHPGDSMN1; SMN2
SCHEMBL30930030 0.81 USP1 (0.51) USP1WDR48LMNAHPGDSMN1; SMN2
SCHEMBL14670663 0.81 USP1 (0.51) USP1WDR48LMNAHPGDSMN1; SMN2
SCHEMBL14670585 0.81 USP1 (0.51) USP1WDR48LMNAHPGDSMN1; SMN2
SCHEMBL14670591 0.80 USP1 (0.39) USP1WDR48ROCK2ROCK1ALDH1A1
SCHEMBL14670594 0.79 USP1 (0.42) USP1WDR48ROCK2ALDH1A1L3MBTL1
SCHEMBL14670671 0.77 USP1 (0.51) USP1WDR48LMNAHPGDSMN1; SMN2
SCHEMBL14495862 0.74 CDK1 (0.36) USP1WDR48ALDH1A1L3MBTL1AURKA
SCHEMBL14662726 0.73 NTRK1 (0.39) ALDH1A1L3MBTL1MAPK1KMT2ANTRK1

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-20140179664-A1 Heterocyclyl Pyrimidine Analogues As JAK Inhibitors CELLZOME LIMITED (GB) 2014-06-26 — — US disclosed
US-20140179664-A1 Heterocyclyl Pyrimidine Analogues As JAK Inhibitors CELLZOME LIMITED (GB) 2014-06-26 — — 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 (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-20140179664-A1 Heterocyclyl Pyrimidine Analogues As JAK Inhibitors JAK1, JAK3, JAK2 USP1 2368/4885WDR48 2995/4885ROCK2 35/4885

“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.

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