SCHEMBL1543398

SCHEMBL1543398

O=CN1CCN(C2CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.40
KCNH2 Q12809 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TFPI2 P48307 1/20 0.34
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 2/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALOX15 P16050 1/20 0.32
POLB P06746 2/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL5016034 0.93 MEN1 (0.43) HRH3KCNH2MEN1KMT2AALDH1A1
SCHEMBL5429121 0.90 MEN1 (0.41) HRH3KCNH2MEN1KMT2AALDH1A1
SCHEMBL3083396 0.90 MEN1 (0.44) HRH3KCNH2MEN1KMT2AALDH1A1
SCHEMBL13632346 0.88 MEN1 (0.43) HRH3KCNH2MEN1KMT2AALDH1A1
SCHEMBL13632342 0.88 MEN1 (0.43) HRH3KCNH2MEN1KMT2AALDH1A1
SCHEMBL2318967 0.88 MEN1 (0.43) HRH3KCNH2MEN1KMT2AALDH1A1
SCHEMBL24480263 0.84 KMT2A (0.36) HRH3KCNH2MEN1KMT2ATFPI2
SCHEMBL29336538 0.84 HRH3 (0.41) HRH3
SCHEMBL1784015 0.84 L3MBTL1 (0.41) HRH3KCNH2MEN1KMT2AALDH1A1
SCHEMBL25612894 0.84 ADH1B (0.52) HRH3KCNH2MEN1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219502-A1 IMIDAZO[1,5-A]PYRAZINE DERIVATIVES AS PI3KDELTA INHIBITORS BeiGene, Ltd. (KY) 2023-08-02 EP disclosed
CN-111377907-B Polysubstituted phenylamino pyrimidine derivative and preparation method and application thereof 杭州百新生物医药科技有限公司 2023-03-28 CN disclosed
CN-111377907-A Polysubstituted phenylamino pyrimidine derivative and preparation method and application thereof 杭州百新生物医药科技有限公司 2020-07-07 CN disclosed
WO-2020135507-A1 POLYSUBSTITUTED ANILINOPYRIMIDINE DERIVATIVE AND PREPARATION METHOD AND APPLICATION THEREOF 杭州百新生物医药科技有限公司 2020-07-02 WO disclosed
EP-2307377-A1 NICOTINAMIDE DERIVATIVES Pfizer Limited (GB) 2011-04-13 EP disclosed
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 US disclosed
WO-2009153720-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 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-20100173888-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 HRH3 166/4885KCNH2 2437/4885MEN1 2257/4885

“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.