SCHEMBL2232597

SCHEMBL2232597

CC(C)Oc1cc(N2CCN(CCO)CC2)ccc1[NH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.41
ADRA1D P25100 3/20 0.41
ADRA1A P35348 3/20 0.41
ADRA1B P35368 3/20 0.41
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
ALK Q9UM73 4/20 0.39
ADRB2 P07550 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38

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
SCHEMBL2236442 0.85 ALK (0.46) TLR9TLR8TLR7ALKTP53
SCHEMBL2236365 0.85 GAA (0.47) LRRK2ADRA1DADRA1AADRA1BMAPT
SCHEMBL2232603 0.85 GAA (0.44) LRRK2ADRA1DADRA1AADRA1BTLR9
SCHEMBL27896116 0.74 LRRK2 (0.41) LRRK2ADRA1DADRA1AADRA1BMEN1
SCHEMBL21228556 0.74 DRD2 (0.50) ADRA1DADRA1AADRA1BLMNAMAPT
SCHEMBL12278862 0.73 ALDH1A1 (0.58) ADRA1DADRA1BMEN1KMT2AALDH1A1
SCHEMBL12311982 0.73 MAPT (0.51) ALKMEN1KMT2AALDH1A1LMNA
SCHEMBL20680015 0.73 LRRK2 (0.46) LRRK2ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL2234370 0.72 GAA (0.47) ALK
SCHEMBL18737492 0.71 DRD2 (0.51) ALDH1A1LMNACTSLCTSBCTSS

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
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
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 (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 LRRK2 213/4885ADRA1D 3159/4885ADRA1A 3604/4885
US-10112954-B2 Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase CDK2, SBK3, CDK2AP1 LRRK2 213/4885ADRA1D 3159/4885ADRA1A 3604/4885

“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.