SCHEMBL2234820

SCHEMBL2234820

Cc1cc(NCCN2CCOCC2)nc([NH])n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.52
KDM4E B2RXH2 6/20 0.52
HSD17B10 Q99714 6/20 0.52
LMNA P02545 5/20 0.52
MAPT P10636 2/20 0.52
ATM Q13315 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GLA P06280 2/20 0.51
SMARCA2 P51531 1/20 0.50
KMT2A Q03164 1/20 0.50
CHRM1 P11229 2/20 0.49
HPGD P15428 4/20 0.48
GAA P10253 1/20 0.48
CASP1 P29466 1/20 0.48
KLK7 P49862 1/20 0.48
CASP7 P55210 1/20 0.48
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
CYP1A2 P05177 6/20 0.47
CYP3A4 P08684 5/20 0.47

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
SCHEMBL11447792 0.89 ALDH1A1 (0.54) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL2234822 0.84 TLR8 (0.54) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL390113 0.79 CHRM1 (0.61) ALDH1A1KDM4EHSD17B10LMNASMARCA2
SCHEMBL12263360 0.78 CYP1A2 (0.49) ALDH1A1KDM4EHSD17B10LMNAMAPT
Hydrochloric Acid SCHEMBL9013614 0.78 CHRM1 (0.60) ALDH1A1KDM4EHSD17B10LMNASMARCA2
SCHEMBL391394 0.75 HSD17B10 (0.54) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL9906945 0.74 CYP1A2 (0.57) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL22275889 0.73 ABL1 (0.53) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL3553003 0.72 LMNA (0.53) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL2232185 0.72 CYP1A2 (0.58) ALDH1A1HSD17B10CHRM1ABL1BCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3141552-B1 THIENOPYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE HANMI PHARM IND CO LTD (KR) 2019-04-17 EP claimed
US-10112954-B2 Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase HANMI PHARM. CO., LTD. (KR) 2018-10-30 US claimed
EP-3141552-A1 THIENOPYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE Hanmi Pharm. Co., Ltd. (KR) 2017-03-15 EP claimed
EP-2528920-A2 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE Hanmi Pharm. Co., Ltd. (KR) 2012-12-05 EP claimed
US-20120302567-A1 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-11-29 US claimed
WO-2011093672-A2 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE HANMI PHARM. CO., LTD. (KR) 2011-08-04 WO claimed
EP-3141552-B1 THIENOPYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE HANMI PHARM IND CO LTD (KR) 2019-04-17 EP disclosed
US-10112954-B2 Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase HANMI PHARM. CO., LTD. (KR) 2018-10-30 US disclosed
EP-3141552-A1 THIENOPYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE Hanmi Pharm. Co., Ltd. (KR) 2017-03-15 EP disclosed
EP-2528920-A2 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE Hanmi Pharm. Co., Ltd. (KR) 2012-12-05 EP disclosed
WO-2011093672-A2 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE HANMI PHARM. CO., LTD. (KR) 2011-08-04 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-20120302567-A1 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE CDK2, SBK3, CDK2AP1 ALDH1A1 3711/4885KDM4E 1519/4885HSD17B10 1134/4885
US-10112954-B2 Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase CDK2, SBK3, CDK2AP1 ALDH1A1 3711/4885KDM4E 1519/4885HSD17B10 1134/4885

“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.