SCHEMBL19087083

SCHEMBL19087083

CCS(=O)(=O)n1cc(C)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ HTT P42858 2/20 0.31
▸ ALPI P09923 1/20 0.31
▸ ALPG P10696 1/20 0.31
▸ PLAA Q9Y263 1/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ TDO2 P48775 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ NPC1 O15118 2/20 0.30
▸ RAB9A P51151 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ GAA P10253 1/20 0.30

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
SCHEMBL12121386 0.78 NOS1 (0.36) NOS1TDO2ALDH1A1CRBN
SCHEMBL17076738 0.78 MAPT (0.35) KMT2ALMNAMAPTL3MBTL1ALDH1A1
SCHEMBL19116699 0.78 GRM4 (0.33) KMT2A
SCHEMBL29233464 0.76 KMT2A (0.39) KMT2AALDH1A1GAA
SCHEMBL16977592 0.75 GABRA1 (0.46) KMT2A
SCHEMBL19077872 0.75 MCOLN3 (0.32) KMT2A
SCHEMBL15555312 0.73 GAA (0.38) NOS1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL19086980 0.72 CRBN (0.36) NOS1ALDH1A1CRBN
SCHEMBL24884241 0.72 KMT2A (0.30) KMT2A
SCHEMBL4993025 0.71 GRM4 (0.51) KMT2ASMN1; SMN2LMNAHTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230009626-A1 INDOLINONE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS ICHNOS SCIENCES S.A. (CH) 2023-01-12 — — US disclosed
EP-3400221-B1 PYRAZOL / IMIDAZOL SUBSTITUTED PYRIDINES AS PI3K-GAMMA INHIBITORS INCYTE CORP (US) 2020-08-26 — — EP disclosed
WO-2020070331-A1 INDOLINONE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS ICHNOS SCIENCES S.A. (CH) 2020-04-09 — — WO disclosed
WO-2017120194-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION (US) 2017-07-13 — — WO disclosed
US-20170190689-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION 2017-07-06 — — 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-20170190689-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS PIK3CG, PIK3CD, PIK3CB NOS1 2077/4885KMT2A 3078/4885SMN1; SMN2 1910/4885
US-20230009626-A1 INDOLINONE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS MAP4K1, MAP4K2, MAP4K4 NOS1 704/4885KMT2A 3119/4885SMN1; SMN2 1863/4885

“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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