SCHEMBL7789976

SCHEMBL7789976

CNC(=O)Nc1ccncc1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.75
TAAR1 Q96RJ0 2/20 0.64
KMT2A Q03164 5/20 0.60
MEN1 O00255 3/20 0.60
RAB9A P51151 1/20 0.59
ALDH1A1 P00352 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.56
PKM P14618 1/20 0.56
KDM4E B2RXH2 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SMARCA2 P51531 1/20 0.53
SMARCA4 P51532 1/20 0.53
LMNA P02545 1/20 0.53
EPHX1 P07099 2/20 0.52
POLB P06746 1/20 0.51
TSHR P16473 1/20 0.50
GAA P10253 1/20 0.50
JAK2 O60674 1/20 0.50
TYK2 P29597 1/20 0.50

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
SCHEMBL11177479 0.88 MDM2 (0.59) MDM2TAAR1KMT2AMEN1RAB9A
SCHEMBL10020286 0.86 MDM2 (1.00) MDM2TAAR1KMT2AMEN1RAB9A
SCHEMBL31668740 0.84 MDM2 (0.95) MDM2TAAR1KMT2AMEN1RAB9A
SCHEMBL16870240 0.84 RAF1 (0.62) MDM2ALDH1A1
SCHEMBL16870271 0.84 MAPK14 (0.55) MDM2TAAR1KMT2AMEN1RAB9A
SCHEMBL10155599 0.84 ALDH1A1 (0.78) TAAR1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL10758878 0.81 MDM2 (0.55) MDM2TAAR1KMT2AMEN1RAB9A
SCHEMBL10857203 0.81 MDM2 (0.60) MDM2TAAR1KMT2AMEN1RAB9A
SCHEMBL10681020 0.80 TRPV1 (0.57) MDM2KMT2AMEN1RAB9AALDH1A1
SCHEMBL9243240 0.79 MDM2 (0.52) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023171783-A1 PYRAZOLE COMPOUND, AND NOXIOUS ORGANISM CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2023-09-14 WO disclosed
WO-2022261524-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF TYK2, COMPOSITION AND APPLICATION THEREOF ACCRO BIOSCIENCE (HK) LIMITED (CN) 2022-12-15 WO disclosed
US-10351522-B2 Sulfonamide derivative and pharmaceutically acceptable acid addition salt thereof UNIVERSITY OF TSUKUBA (JP) 2019-07-16 US disclosed
US-20180179151-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF UNIVERSITY OF TSUKUBA (JP) 2018-06-28 US disclosed
EP-3309146-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF University of Tsukuba (JP) 2018-04-18 EP disclosed
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON ALZHEIMER'S INSTITUTE OF AMERICA (US) 2015-12-10 US disclosed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 US disclosed
WO-2011046970-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON MYREXIS, INC. (US) 2011-04-21 WO disclosed
EP-1147079-A2 BETA-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS Bayer Aktiengesellschaft (DE) 2001-10-24 EP disclosed
WO-2000041469-A2 β-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2000-07-20 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 (4 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-20180179151-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF HCRTR2, HCRTR1, NPSR1 MDM2 4840/4885TAAR1 117/4885KMT2A 234/4885
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON TBK1, NFKBIA, CHUK MDM2 140/4885TAAR1 4250/4885KMT2A 3692/4885
US-10351522-B2 Sulfonamide derivative and pharmaceutically acceptable acid addition salt thereof HCRTR2, HCRTR1, NPSR1 MDM2 4840/4885TAAR1 117/4885KMT2A 234/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB MDM2 142/4885TAAR1 3879/4885KMT2A 1946/4885

“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.