SCHEMBL15766397

SCHEMBL15766397

Oc1nc2c3ccccc3sc2c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 1/20 0.45
▸ CDK5 Q00535 1/20 0.45
▸ CDK5R1 Q15078 1/20 0.45
▸ GPR3 P46089 1/20 0.41
▸ TNKS O95271 2/20 0.41
▸ TNKS2 Q9H2K2 2/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ PIM2 Q9P1W9 1/20 0.41
▸ KRAS P01116 1/20 0.41
▸ MAPT P10636 5/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ HRH4 Q9H3N8 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ PARP14 Q460N5 1/20 0.38
▸ RAB9A P51151 2/20 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
SCHEMBL15766147 0.82 BCKDK (0.36) LIMK1MAPTMEN1KMT2ANPSR1
SCHEMBL15766144 0.78 LIMK1 (0.45) LIMK1CDK5CDK5R1GPR3TNKS
Hydrochloric Acid SCHEMBL2495354 0.76 HRH4 (0.52) LIMK1CDK5CDK5R1GPR3TNKS
SCHEMBL18859782 0.75 TNKS (0.43) LIMK1CDK5CDK5R1GPR3TNKS
SCHEMBL8894268 0.73 LIMK1 (0.65) LIMK1CDK5CDK5R1NPSR1HRH4
SCHEMBL11488952 0.73 LIMK1 (0.44) LIMK1CDK5CDK5R1GPR3TNKS
SCHEMBL24188602 0.70 GPR3 (0.46) LIMK1CDK5CDK5R1GPR3TNKS
SCHEMBL29510014 0.70 LIMK1 (0.53) LIMK1CDK5CDK5R1GPR3TNKS
SCHEMBL18859772 0.70 TNKS (0.42) LIMK1CDK5CDK5R1GPR3TNKS
SCHEMBL15766176 0.70 CCR6 (0.42) LIMK1CDK5CDK5R1TNKSTNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2740734-B1 HCV PROTEASE INHIBITORS SHANGHAI TANGRUN PHARMACEUTICALS CO LTD (CN) 2017-09-06 — — EP disclosed
EP-2740734-B1 HCV PROTEASE INHIBITORS SHANGHAI TANGRUN PHARMACEUTICALS CO LTD (CN) 2017-09-06 — — EP disclosed
US-8969373-B2 HCV protease inhibitors Shanghai Tangrun Pharmaceuticals Co., Ltd. (CN) 2015-03-03 — — US disclosed
US-8969373-B2 HCV protease inhibitors Shanghai Tangrun Pharmaceuticals Co., Ltd. (CN) 2015-03-03 — — US disclosed
US-8969373-B2 HCV protease inhibitors Shanghai Tangrun Pharmaceuticals Co., Ltd. (CN) 2015-03-03 — — US disclosed
US-20140163219-A1 HCV Protease Inhibitors SHANGHAI TANGRUN PHARMACEUTICALS, CO., LTD. (CN) 2014-06-12 — — US disclosed
US-20140163219-A1 HCV Protease Inhibitors SHANGHAI TANGRUN PHARMACEUTICALS, CO., LTD. (CN) 2014-06-12 — — US disclosed
US-20140163219-A1 HCV Protease Inhibitors SHANGHAI TANGRUN PHARMACEUTICALS, CO., LTD. (CN) 2014-06-12 — — US disclosed
EP-2740734-A1 HCV PROTEASE INHIBITORS Shanghai Tangrun Pharmaceuticals, Co. Ltd (CN) 2014-06-11 — — EP disclosed
EP-2740734-A1 HCV PROTEASE INHIBITORS Shanghai Tangrun Pharmaceuticals, Co. Ltd (CN) 2014-06-11 — — EP 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 (1 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-20140163219-A1 HCV Protease Inhibitors CPN1, CTRL, CTSZ LIMK1 3592/4885CDK5 1896/4885CDK5R1 779/4885

“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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