SCHEMBL23133619

SCHEMBL23133619

CCc1cnc2cnn(C)cc1-2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ PIM1 P11309 3/20 0.33
▸ FEN1 P39748 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ MAPK8 P45983 1/20 0.32
▸ MAPK9 P45984 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ ALOX5AP P20292 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ FGFR3 P22607 2/20 0.32
▸ KDR P35968 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ RET P07949 1/20 0.32
▸ NOS3 P29474 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
SCHEMBL23425884 0.85 MAP4K1 (0.36) MAP4K1ALDH1A1SMN1; SMN2L3MBTL1HTT
SCHEMBL23107321 0.75 PIM1 (0.37) PIM1FEN1MAPK1ALOX5APCYP11B1
SCHEMBL23089484 0.73 PIM1 (0.34) PIM1FEN1MAPK1ALOX5APCYP11B1
SCHEMBL23103358 0.72 ALOX5AP (0.35) ALDH1A1SMN1; SMN2L3MBTL1HTTPIM1
SCHEMBL23103531 0.69 MAOA (0.40) FEN1NOS3NOS1NOS2
SCHEMBL15175384 0.67 PIM1 (0.46) PIM1CYP11B1CYP11B2FGFR3PDPK1
SCHEMBL178438 0.65 — —
SCHEMBL31048702 0.64 BRD4 (0.54) FEN1ALOX5APBRD4
SCHEMBL14906787 0.63 CYP11B1 (0.60) SMN1; SMN2PIM1MAPK1CYP11B1CYP11B2
Ammonia Solution, Strong SCHEMBL7435176 0.63 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210087189-A1 SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-25 — — 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-20210087189-A1 SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, SIK1 MAP4K1 112/4885ALDH1A1 4527/4885SMN1; SMN2 2011/4885

“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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