SCHEMBL12385442

SCHEMBL12385442

CCCc1nc2c(C(C)(C)O)cccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ PDE10A Q9Y233 2/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ PARP1 P09874 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ DDAH1 O94760 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL15767395 0.81 CACNA1H (0.49) —
SCHEMBL10397230 0.78 PDE10A (0.57) CHEK1PDE10AKDM4EDDAH1POLB
SCHEMBL15767180 0.77 CHEK1 (0.41) CHEK1PDE10APARP1KDM4EDDAH1
SCHEMBL1917210 0.76 MGAM (0.47) —
SCHEMBL7964155 0.75 CHEK1 (0.58) CHEK1PDE10APARP1KDM4EDDAH1
SCHEMBL1917492 0.75 PSMB8 (0.49) CHEK1KDM4EDDAH1POLB
SCHEMBL9754832 0.75 ALDH1A1 (0.46) CHEK1PDE10AKDM4EDDAH1POLB
SCHEMBL13672554 0.74 CHEK1 (0.41) CHEK1CYP1A2CYP2C9PDE10APARP1
SCHEMBL9224298 0.73 KDM4E (0.54) CHEK1PARP1KDM4E
SCHEMBL9434820 0.73 CHEK1 (0.39) CHEK1CYP1A2CYP2C9PDE10AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3081213-A1 TRICYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2016-10-19 — — EP disclosed
US-20110201640-A1 TRICYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-18 — — US disclosed
EP-2327690-A1 TRICYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2011-06-01 — — EP disclosed
WO-2010016549-A1 TRICYCLIC COMPOUND 協和発酵キリン株式会社 (JP) 2010-02-11 — — 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 (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-20110201640-A1 TRICYCLIC COMPOUND PPARG, PPARA, PPARD CHEK1 4214/4885CYP1A2 1020/4885CYP2C9 360/4885

“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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