SCHEMBL10070685

SCHEMBL10070685

Cc1cc(C(C)(C)C)nn1-c1cccc(CN2CCOCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 1/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ NOS1 P29475 1/20 0.46
▸ SIGMAR1 Q99720 5/20 0.46
▸ MAPK14 Q16539 2/20 0.45
▸ BRD4 O60885 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ PIK3CD O00329 1/20 0.42
▸ PIK3R2 O00459 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ PIK3R5 Q8WYR1 1/20 0.42
▸ PIK3R3 Q92569 1/20 0.42
▸ HTR2B P41595 1/20 0.41
▸ CNR2 P34972 1/20 0.41

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
SCHEMBL1407899 0.87 NCF1 (0.49) NCF1KMT2AMEN1NOS1MAPK14
SCHEMBL30704930 0.87 NCF1 (0.49) NCF1KMT2AMEN1NOS1MAPK14
SCHEMBL5047313 0.83 MEN1 (0.52) NCF1KMT2AMEN1NOS1MAPK14
SCHEMBL1695879 0.80 NCF1 (0.48) NCF1KMT2AMEN1NOS1SIGMAR1
SCHEMBL15011092 0.78 NCF1 (0.46) NCF1KMT2AMEN1NOS1BRD4
SCHEMBL367853 0.76 TNF (0.44) KMT2AMEN1SIGMAR1MAPK14ALDH1A1
SCHEMBL26923141 0.75 MAPK14 (0.51) MAPK14
SCHEMBL26921860 0.75 MAPK14 (0.42) KMT2AMEN1MAPK14PIK3CDPIK3R2
SCHEMBL1408300 0.74 MC4R (0.43) NCF1KMT2AMAPK14BRD4ALDH1A1
SCHEMBL27556644 0.74 MAPK9 (0.52) KMT2AMEN1MAPK14PIK3CDCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023237759-A1 DIHYDRO[1,8]NAPHTHYRIDIN-7-ONE AND PYRIDO[3,2-B][1,4]OXAZIN-3-ONE FOR USE IN TREATING CANCER, AND METASTASES IN PARTICULAR ANAGENESIS BIOTECHNOLOGIES (FR) 2023-12-14 — — WO disclosed
US-20120088763-A1 TRIAZOLOPYRIDINE DERIVATIVES AND THEIR THERAPEUTIC USE CHIESI FARMACEUTICI S.P.A. (IT) 2012-04-12 — — US disclosed
WO-2010094956-A1 TRIAZOLOPYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS PULMAGEN THERAPEUTICS (INFLAMMATION) LIMITED. (GB) 2010-08-26 — — 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-20120088763-A1 TRIAZOLOPYRIDINE DERIVATIVES AND THEIR THERAPEUTIC USE CNKSR1, MOK, MAPK1 NCF1 1870/4885KMT2A 2565/4885MEN1 4860/4885

“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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