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
SCHEMBL1877934 0.82 HRH3 (0.68) SIGMAR1GFERHRH3ALDH1A1CYP1A2
SCHEMBL5651768 0.82 SIGMAR1 (0.64) SIGMAR1MAPTSMN1; SMN2GFERHRH3
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.

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