SCHEMBL10128072

SCHEMBL10128072

CN1CCC(N2CCN(c3ccc(N)cc3F)CC2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
MAPT P10636 5/20 0.54
GFER P55789 2/20 0.54
LMNA P02545 1/20 0.54
MAPK1 P28482 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
KDM4E B2RXH2 4/20 0.49
RAD52 P43351 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 1/20 0.41
KCNH2 Q12809 2/20 0.41
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
FGFR3 P22607 1/20 0.39
POLB P06746 1/20 0.39
ADRA2C P18825 2/20 0.39
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
PTK2B Q14289 2/20 0.38
ESR2 Q92731 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
SCHEMBL10036378 0.94 ALDH1A1 (0.50) ALDH1A1MAPTGFERLMNAMAPK1
SCHEMBL14484056 0.86 ALDH1A1 (0.56) ALDH1A1MAPTGFERLMNAMAPK1
SCHEMBL29520597 0.85 ALDH1A1 (0.66) ALDH1A1MAPTGFERLMNAMAPK1
SCHEMBL159044 0.85 ALDH1A1 (0.66) ALDH1A1MAPTGFERLMNAMAPK1
SCHEMBL15244439 0.84 MAPT (0.70) ALDH1A1MAPTGFERTDP1KDM4E
SCHEMBL12082262 0.84 ALDH1A1 (0.47) ALDH1A1MAPTLMNAKDM4EL3MBTL1
SCHEMBL328198 0.84 ALDH1A1 (0.56) ALDH1A1MAPTGFERLMNAKDM4E
SCHEMBL3572425 0.84 ALDH1A1 (0.54) ALDH1A1MAPTGFERLMNAMAPK1
SCHEMBL10036448 0.84 ALDH1A1 (0.54) ALDH1A1MAPTGFERLMNAMAPK1
SCHEMBL24301307 0.83 MAPT (0.52) ALDH1A1MAPTGFERMAPK1KDM4E

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
CN-116456985-A Pyrimidine and pyridine derivatives as HPK1 modulators and methods of use thereof 深圳市原力生命科学有限公司 2023-07-18 CN disclosed
EP-3985000-A1 2,4-DISUBSTITUTED PYRIMIDINE DERIVATIVE, PREPARATION METHOD FOR SAME, AND USES THEREOF Chengdu Zenitar Biomedical Technology Co., Ltd. (CN) 2022-04-20 EP disclosed
WO-2022063140-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AS HPK1 MODULATOR AND METHODS USING SAME SHENZHEN IONOVA LIFE SCIENCE CO., LTD. (CN) 2022-03-31 WO disclosed
WO-2020259683-A1 2,4-DISUBSTITUTED PYRIMIDINE DERIVATIVE, PREPARATION METHOD FOR SAME, AND USES THEREOF 成都赜灵生物医药科技有限公司 2020-12-30 WO disclosed
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
EP-3009428-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2016-04-20 EP disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 US disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 US disclosed
WO-2010128659-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND アステラス製薬株式会社 (JP) 2010-11-11 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 (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-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 ALDH1A1 1554/4885MAPT 3116/4885GFER 3862/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 ALDH1A1 1554/4885MAPT 3116/4885GFER 3862/4885

“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.