SCHEMBL2234644

SCHEMBL2234644

CCN1CCN(CCc2ccc(N)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.63
MAPT P10636 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
GFER P55789 2/20 0.58
KDM4E B2RXH2 1/20 0.58
GAA P10253 1/20 0.58
RAD52 P43351 1/20 0.58
KCNJ1 P48048 1/20 0.53
KCNH2 Q12809 1/20 0.53
LMNA P02545 1/20 0.53
HRH3 Q9Y5N1 2/20 0.50
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
THPO P40225 1/20 0.49

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
SCHEMBL1509554 0.87 LMNA (0.70) SIGMAR1MAPTSMN1; SMN2GFERKDM4E
SCHEMBL19253116 0.85 SIGMAR1 (0.62) SIGMAR1KCNJ1KCNH2HRH3ALDH1A1
SCHEMBL14924443 0.83 HRH3 (0.72) SIGMAR1MAPTKCNJ1KCNH2HRH3
SCHEMBL5651768 0.82 SIGMAR1 (0.64) SIGMAR1MAPTSMN1; SMN2GFERHRH3
SCHEMBL1877934 0.82 HRH3 (0.68) SIGMAR1GFERHRH3ALDH1A1CYP1A2
SCHEMBL14924019 0.82 SIGMAR1 (0.59) SIGMAR1KCNJ1KCNH2HRH3CYP1A2
SCHEMBL5253698 0.81 SIGMAR1 (0.58) SIGMAR1KCNJ1KCNH2HRH3MBTD1
SCHEMBL20353638 0.81 SIGMAR1 (0.68) SIGMAR1MAPTKCNJ1KCNH2LMNA
SCHEMBL2234638 0.81 SIGMAR1 (0.58) SIGMAR1KCNJ1KCNH2HRH3ALDH1A1
SCHEMBL4754639 0.81 SIGMAR1 (0.63) SIGMAR1MAPTSMN1; SMN2GFERKCNJ1

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 28 patents — showing the first 20. 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
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
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
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9802937-B2 Substituted pyrazolo{4,3-D}pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-10-31 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
US-20120329785-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US disclosed
US-20120329780-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US disclosed
EP-2528920-A2 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE Hanmi Pharm. Co., Ltd. (KR) 2012-12-05 EP disclosed
US-20120302567-A1 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-11-29 US 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 (7 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 SIGMAR1 4340/4885MAPT 1332/4885SMN1; SMN2 3500/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK SIGMAR1 4550/4885MAPT 470/4885SMN1; SMN2 882/4885
US-10112954-B2 Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase CDK2, SBK3, CDK2AP1 SIGMAR1 4340/4885MAPT 1332/4885SMN1; SMN2 3500/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK SIGMAR1 4550/4885MAPT 470/4885SMN1; SMN2 882/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 SIGMAR1 3992/4885MAPT 634/4885SMN1; SMN2 609/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK SIGMAR1 4627/4885MAPT 438/4885SMN1; SMN2 986/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK SIGMAR1 4627/4885MAPT 438/4885SMN1; SMN2 986/4885

“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.