SCHEMBL10020286

SCHEMBL10020286

O=C(Nc1ccncc1)Nc1ccncc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 1.00
TAAR1 Q96RJ0 2/20 0.83
KMT2A Q03164 7/20 0.76
MEN1 O00255 6/20 0.76
RAB9A P51151 1/20 0.68
LMNA P02545 2/20 0.66
SMARCA2 P51531 1/20 0.66
SMARCA4 P51532 1/20 0.66
KDM4E B2RXH2 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.63
POLB P06746 1/20 0.63
PKM P14618 1/20 0.63
MAPT P10636 1/20 0.59
HTT P42858 1/20 0.59
EPHX1 P07099 1/20 0.58
GAA P10253 1/20 0.58
ALDH1A1 P00352 1/20 0.58

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
SCHEMBL31668740 0.97 MDM2 (0.95) MDM2TAAR1KMT2AMEN1RAB9A
SCHEMBL23999548 0.91 MDM2 (0.83) MDM2TAAR1KMT2AMEN1RAB9A
SCHEMBL305498 0.91 TAAR1 (1.00) MDM2TAAR1KMT2AMEN1RAB9A
SCHEMBL5851814 0.87 MDM2 (0.76) MDM2TAAR1KMT2AMEN1RAB9A
SCHEMBL13552998 0.87 KMT2A (1.00) MDM2TAAR1KMT2AMEN1RAB9A
SCHEMBL13554610 0.87 MDM2 (0.76) MDM2TAAR1KMT2AMEN1RAB9A
SCHEMBL4917143 0.87 KMT2A (1.00) MDM2TAAR1KMT2AMEN1RAB9A
SCHEMBL3460997 0.87 MAPT (0.76) MDM2TAAR1KMT2AMEN1RAB9A
SCHEMBL4717455 0.87 MDM2 (0.76) MDM2TAAR1KMT2AMEN1RAB9A
SCHEMBL7789976 0.86 MDM2 (0.75) MDM2TAAR1KMT2AMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023176554-A1 COGNITIVE-FUNCTION-IMPROVING AGENT 国立大学法人東北大学 2023-09-21 WO claimed
WO-2023176554-A1 COGNITIVE-FUNCTION-IMPROVING AGENT 国立大学法人東北大学 2023-09-21 WO disclosed
US-20190284171-A1 METHOD OF CONVERTING CARBON DIOXIDE INTO CARBONYL COMPOUNDS TRANSLATIONAL HEALTH SCIENCE AND TECHNOLOGY INSTITUTE (IN) 2019-09-19 US disclosed
WO-2019073484-A1 METHOD OF CONVERTING CARBON DIOXIDE INTO CARBONYL COMPOUNDS TRANSLATIONAL HEALTH SCIENCE AND TECHNOLOGY INSTITUTE (IN) 2019-04-18 WO disclosed
US-8729107-B2 Pyridines for treating injured mammalian nerve tissue PURDUE RESEARCH FOUNDATION (US) 2014-05-20 US disclosed
US-8729107-B2 Pyridines for treating injured mammalian nerve tissue PURDUE RESEARCH FOUNDATION (US) 2014-05-20 US disclosed
US-8097638-B2 Pyridines for treating injured mammalian nerve tissue PURDUE RESEARCH FOUNDATION (US) 2012-01-17 US disclosed
US-8097638-B2 Pyridines for treating injured mammalian nerve tissue PURDUE RESEARCH FOUNDATION (US) 2012-01-17 US disclosed
US-20110130429-A1 PYRIDINES FOR TREATING INJURED MAMMALIAN NERVE TISSUE PURDUE RESEARCH FOUNDATION (US) 2011-06-02 US disclosed
US-20110130429-A1 PYRIDINES FOR TREATING INJURED MAMMALIAN NERVE TISSUE PURDUE RESEARCH FOUNDATION (US) 2011-06-02 US disclosed
US-20080039490-A1 PYRIDINES FOR TREATING INJURED MAMMALIAN NERVE TISSUE PURDUE RESEARCH FOUNDATION (US) 2008-02-14 US disclosed
US-20080039490-A1 PYRIDINES FOR TREATING INJURED MAMMALIAN NERVE TISSUE PURDUE RESEARCH FOUNDATION (US) 2008-02-14 US disclosed
US-7244748-B2 Pyridines for treating injured mammalian nerve tissue PURDUE RESEARCH FOUNDATION (US) 2007-07-17 US disclosed
US-7244748-B2 Pyridines for treating injured mammalian nerve tissue PURDUE RESEARCH FOUNDATION (US) 2007-07-17 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 (3 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-20080039490-A1 PYRIDINES FOR TREATING INJURED MAMMALIAN NERVE TISSUE P2RY4, INA, PMP22 MDM2 3943/4885TAAR1 1150/4885KMT2A 1451/4885
US-20190284171-A1 METHOD OF CONVERTING CARBON DIOXIDE INTO CARBONYL COMPOUNDS CBR3, CBR1, NOX3 MDM2 2944/4885TAAR1 3990/4885KMT2A 2913/4885
US-20110130429-A1 PYRIDINES FOR TREATING INJURED MAMMALIAN NERVE TISSUE PMP22, SMN1; SMN2, MUSK MDM2 2189/4885TAAR1 1722/4885KMT2A 1854/4885

“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.