SCHEMBL11919210

SCHEMBL11919210

COc1cc2nc(-c3cccc(N=O)c3)[nH]c(=O)c2cc1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 2/20 0.50
▸ ELANE P08246 1/20 0.48
▸ PDE4A P27815 1/20 0.47
▸ PDE4B Q07343 1/20 0.47
▸ PDE4C Q08493 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ CYP1A1 P04798 2/20 0.45
▸ CYP1B1 Q16678 2/20 0.45
▸ CTSV O60911 2/20 0.45
▸ CTSL P07711 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ PDPK1 O15530 1/20 0.45
▸ CDK4 P11802 2/20 0.45
▸ CCND1 P24385 2/20 0.45
▸ PDE3B Q13370 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ TNKS O95271 1/20 0.44
▸ TNKS2 Q9H2K2 1/20 0.44
▸ PARP2 Q9UGN5 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL11919793 0.89 GUSB (0.55) GUSBCYP1A1CYP1B1CYP1A2CDK4
SCHEMBL873978 0.83 GUSB (0.60) GUSBELANEPDE4APDE4BPDE4C
SCHEMBL873980 0.81 GUSB (0.48) GUSBELANEPDE4APDE4BPDE4C
SCHEMBL874164 0.79 GUSB (0.65) GUSBCYP1A1CYP1B1CYP1A2CDK4
SCHEMBL259473 0.79 GUSB (0.67) GUSBCYP1A1CYP1B1CYP1A2CDK4
SCHEMBL27041281 0.78 ELANE (0.58) ELANECTSVCTSLPDE3BPDE3A
SCHEMBL20509552 0.78 ELANE (0.58) ELANECTSVCTSLPDE3BPDE3A
SCHEMBL11920135 0.78 KDM4E (0.54) GUSBTNKSTNKS2KDM4ETUBB4A
SCHEMBL874165 0.77 GUSB (0.68) GUSBCYP1A1CYP1B1CYP1A2CDK4
SCHEMBL28945891 0.76 KDM4E (0.58) ELANECTSVCTSLPDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1865958-B1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX INC (US) 2015-07-08 — — EP disclosed
US-20120202793-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC 2012-08-09 — — US disclosed
US-20100144707-A1 Pharmacokinetically improved compounds SURFACE LOGIX, LLC 2010-06-10 — — US 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-20100144707-A1 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 GUSB 895/4885ELANE 1634/4885PDE4A 111/4885
US-20120202793-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA GUSB 3229/4885ELANE 3801/4885PDE4A 338/4885

“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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