SCHEMBL12859249

SCHEMBL12859249

Cc1ccc(-n2cncn2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GLA P06280 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 2/20 0.41
CYP2A6 P11509 1/20 0.41
PIM1 P11309 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL20008835 0.78 KDM4E (0.53) KDM4EPOLBMAPTMEN1KMT2A
SCHEMBL2644945 0.78 MAPT (0.48) KDM4EPOLBMAPTMEN1KMT2A
SCHEMBL29973132 0.78 MAPT (0.45) KDM4EPOLBMAPTMEN1KMT2A
SCHEMBL1163933 0.78 MAPT (0.45) KDM4EPOLBMAPTMEN1KMT2A
SCHEMBL584903 0.78 MAPT (0.45) KDM4EPOLBMAPTMEN1KMT2A
SCHEMBL1963980 0.78 KMT2A (0.49) KDM4EPOLBMAPTMEN1KMT2A
SCHEMBL10162131 0.77 MAPT (0.48) KDM4EPOLBMAPTMEN1KMT2A
SCHEMBL13466387 0.77 KDM4E (0.43) KDM4EPOLBMAPTMEN1KMT2A
SCHEMBL15739713 0.77 LMNA (0.46) KDM4EPOLBMAPTMEN1KMT2A
SCHEMBL12301439 0.76 KDM4E (0.41) KDM4EPOLBMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210347773-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS ONO PHARMACEUTICAL CO., LTD. (JP) 2021-11-11 US disclosed
US-11046683-B2 Activator of TREK (TWIK RElated K+ channels) channels ONO PHARMACEUTICAL CO., LTD. (JP) 2021-06-29 US disclosed
US-20190322662-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS ONO PHARMACEUTICAL CO., LTD. (JP) 2019-10-24 US disclosed
US-10398783-B2 Antiproliferative compounds and conjugates made therefrom BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-20180110873-A1 ANTIPROLIFERATIVE COMPOUNDS AND CONJUGATES MADE THEREFROM BRISTOL-MYERS SQUIBB COMPANY 2018-04-26 US disclosed
US-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-09-25 US disclosed
US-8507481-B2 Benzoxazine oxazolidinone compounds, preparation methods and uses thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2013-08-13 US disclosed
US-20130123249-A1 NOVEL BENZOXAZINE OXAZOLIDINONE COMPOUNDS, PREPARATION METHODS AND USES THEREOF NANJING CHANGAO PHARMACEUTICAL SCIENCE & TECHNOLOGY CO., LIMITED (CN) 2013-05-16 US disclosed
EP-2578591-A1 NOVEL BENZOXAZINE OXAZOLIDINONE COMPOUNDS, PREPARATION METHODS AND USES THEREOF Shanghai Institute Materia Medica, Chinese Academy Of Sciences (CN) 2013-04-10 EP disclosed
US-20110039845-A1 2-AMINOQUINAZOLINE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-02-17 US disclosed
US-20110039845-A1 2-AMINOQUINAZOLINE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-02-17 US disclosed
US-7291602-B2 11,12-lactone bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-11-06 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 (8 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-20110039845-A1 2-AMINOQUINAZOLINE DERIVATIVE H1-2, H1-3, H1-0 KDM4E 1360/4885POLB 4386/4885MAPT 3916/4885
US-20130123249-A1 NOVEL BENZOXAZINE OXAZOLIDINONE COMPOUNDS, PREPARATION METHODS AND USES THEREOF XDH, OXA1L, CYP3A5 KDM4E 2762/4885POLB 1010/4885MAPT 4204/4885
US-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS CSNK1G1, PRKCE, PHKG1 KDM4E 2393/4885POLB 1057/4885MAPT 1484/4885
US-20190322662-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS KCNJ11, KCNJ1, KCNJ8 KDM4E 3251/4885POLB 3532/4885MAPT 2133/4885
US-11046683-B2 Activator of TREK (TWIK RElated K+ channels) channels KCNJ11, KCNJ1, KCNJ8 KDM4E 3251/4885POLB 3532/4885MAPT 2133/4885
US-20180110873-A1 ANTIPROLIFERATIVE COMPOUNDS AND CONJUGATES MADE THEREFROM MKI67, HDGF, PCLAF KDM4E 3373/4885POLB 1924/4885MAPT 3696/4885
US-20210347773-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS KCNJ11, KCNJ1, KCNJ8 KDM4E 3251/4885POLB 3532/4885MAPT 2133/4885
US-10398783-B2 Antiproliferative compounds and conjugates made therefrom MKI67, HDGF, PCLAF KDM4E 3373/4885POLB 1924/4885MAPT 3696/4885

“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.