SCHEMBL10126971

SCHEMBL10126971

CN1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3S(C)(=O)=O)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.58
CYP1A2 P05177 4/20 0.58
CYP3A4 P08684 4/20 0.58
CYP2C19 P33261 4/20 0.58
HTT P42858 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
CYP2C9 P11712 3/20 0.50
CYP2D6 P10635 2/20 0.50
MCOLN3 Q8TDD5 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 4/20 0.46
KMT2A Q03164 3/20 0.45
GAA P10253 2/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 2/20 0.44
DRD2 P14416 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL29354408 1.00 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP3A4CYP2C19HTT
SCHEMBL16305330 0.89 ALDH1A1 (0.67) ALDH1A1CYP1A2CYP3A4CYP2C19HTT
SCHEMBL10035914 0.85 HTT (0.81) ALDH1A1CYP1A2CYP3A4CYP2C19HTT
SCHEMBL328462 0.84 WDR5 (0.49) ALDH1A1CYP1A2CYP3A4CYP2C19HTT
SCHEMBL30464731 0.84 WDR5 (0.49) ALDH1A1CYP1A2CYP3A4CYP2C19HTT
SCHEMBL10036442 0.84 ALDH1A1 (0.59) ALDH1A1CYP1A2CYP3A4CYP2C19HTT
SCHEMBL30464729 0.84 ALDH1A1 (0.59) ALDH1A1CYP1A2CYP3A4CYP2C19HTT
SCHEMBL10036125 0.83 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP3A4CYP2C19HTT
SCHEMBL30310802 0.83 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP3A4CYP2C19HTT
SCHEMBL22471238 0.83 ALDH1A1 (0.57) ALDH1A1CYP1A2CYP3A4CYP2C19HTT

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
CN-116323562-B Compounds with kinase inhibitory activity 上海赛岚生物科技有限公司 2024-06-21 CN disclosed
US-20230339936-A1 COMPOUND HAVING KINASE INHIBITORY ACTIVITY CYTOSINLAB THERAPEUTICS CO., LTD. (CN) 2023-10-26 US disclosed
US-20230339936-A1 COMPOUND HAVING KINASE INHIBITORY ACTIVITY CYTOSINLAB THERAPEUTICS CO., LTD. (CN) 2023-10-26 US disclosed
CN-113968856-B Compounds with kinase inhibitory activity 上海赛岚生物科技有限公司 2023-09-26 CN disclosed
CN-116323562-A Compounds with kinase inhibitory activity 上海赛岚生物科技有限公司 2023-06-23 CN disclosed
EP-4186901-A1 COMPOUND HAVING KINASE INHIBITORY ACTIVITY Cytosinlab Therapeutics Co., Ltd. (CN) 2023-05-31 EP disclosed
WO-2022017434-A1 COMPOUND HAVING KINASE INHIBITORY ACTIVITY 上海赛岚生物科技有限公司 2022-01-27 WO disclosed
CN-113968856-A Compounds with kinase inhibition activity 上海赛岚生物科技有限公司 2022-01-25 CN disclosed
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 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-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 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-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 ALDH1A1 1554/4885CYP1A2 4614/4885CYP3A4 3570/4885
US-20230339936-A1 COMPOUND HAVING KINASE INHIBITORY ACTIVITY FLT3, ERBB2, ABL1 ALDH1A1 2716/4885CYP1A2 2418/4885CYP3A4 2393/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 ALDH1A1 1554/4885CYP1A2 4614/4885CYP3A4 3570/4885

“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.