SCHEMBL3265456

SCHEMBL3265456

COc1ccc(-c2ccc(C)nc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 3/20 0.56
▸ PDGFRB P09619 1/20 0.49
▸ PDGFRA P16234 1/20 0.49
▸ CLK4 Q9HAZ1 2/20 0.48
▸ ESR2 Q92731 1/20 0.48
▸ ABL1 P00519 1/20 0.48
▸ BCR P11274 1/20 0.48
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ PLK4 O00444 1/20 0.45
▸ AURKA O14965 1/20 0.45
▸ DYRK3 O43781 1/20 0.45
▸ MAP4K4 O95819 1/20 0.45
▸ NTRK1 P04629 1/20 0.45
▸ INSR P06213 1/20 0.45
▸ CDK1 P06493 1/20 0.45

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
SCHEMBL17051516 0.84 HPGDS (0.54) ABL1BCRNPC1RAB9A
SCHEMBL22454025 0.84 CYP1A1 (0.52) DYRK1AABL1BCRNPC1RAB9A
SCHEMBL435691 0.82 — —
SCHEMBL676678 0.82 HPGDS (0.56) NPC1RAB9A
SCHEMBL27855421 0.81 RXFP1 (0.51) DYRK1AABL1BCRNPC1RAB9A
SCHEMBL14037485 0.81 DYRK1A (0.53) DYRK1APDGFRBPDGFRACLK4ESR2
SCHEMBL12269937 0.80 NQO1 (0.54) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL3265693 0.80 ABL1 (0.55) DYRK1APDGFRBPDGFRACLK4ABL1
SCHEMBL21427051 0.79 FTO (0.50) DYRK1AABL1BCRMAP4K4MKNK2
SCHEMBL1422493 0.79 MKNK1 (0.59) DYRK1APDGFRBPDGFRACLK4ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114866-B2 Derivatives of 1-piperazine- and 1-homopiperazine-carboxylates, preparation method thereof and use of same as inhibitors of the FAAH enzyme SANOFI-AVENTIS (FR) 2012-02-14 — — US disclosed
US-20120004207-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL-AND PIPERIDINYL-ALKYL CARBAMATES SANOFI-AVENTIS (FR) 2012-01-05 — — US disclosed
US-8034818-B2 Therapeutic uses of derivatives of piperidinyl- and piperazinyl-alkyl carbamates SANOFI-AVENTIS (FR) 2011-10-11 — — US disclosed
US-8034818-B2 Therapeutic uses of derivatives of piperidinyl- and piperazinyl-alkyl carbamates SANOFI-AVENTIS (FR) 2011-10-11 — — US disclosed
US-20100137329-A1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME SANOFI-EVENTIS (FR) 2010-06-03 — — US disclosed
US-7687503-B2 2-(methylamino)-2-oxoethyl 4-{5-[3-(trifluoromethyl)-phenyl]-2-pyridyl}-1-piperazinecarboxylate, for example; enzyme inhibitors of fatty acid amide hydrolases; treatment of pain, eating disorders, neurological and psychiatric pathologies, among other disorders SANOFI-AVENTIS (FR) 2010-03-30 — — US disclosed
EP-1403250-B1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE KOWA CO (JP) 2007-07-18 — — EP disclosed
US-20070142350-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES SANOFI-AVENTIS (FR) 2007-06-21 — — US disclosed
US-20070142350-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES SANOFI-AVENTIS (FR) 2007-06-21 — — US disclosed
US-7214798-B2 Derivatives of piperidinyl-and piperazinyl-alkyl carbamates, preparation methods thereof and application of same in therapeutics SANOFI-AVENTIS (FR) 2007-05-08 — — US disclosed
US-7214798-B2 Derivatives of piperidinyl-and piperazinyl-alkyl carbamates, preparation methods thereof and application of same in therapeutics SANOFI-AVENTIS (FR) 2007-05-08 — — US disclosed
WO-1994011378-A1 ARYL THIOPYRANO[2,3,4-c,d]INDOLES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1994-05-26 — — WO disclosed
US-5314900-A Aryl thiopyrano[2,3,4-C,D]indoles as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1994-05-24 — — US disclosed
US-5202321-A Antihistamine, antiallergens, antiinflammatory agents MERCK FROSST CANADA, INC. (CA) 1993-04-13 — — US disclosed
EP-0518426-A1 Thiopyrano (2,3,4-c,d) indoles as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1992-12-16 — — 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 (3 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-20100137329-A1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME FAAH, FAAH2, CNR1 DYRK1A 3298/4885PDGFRB 2227/4885PDGFRA 1574/4885
US-20120004207-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL-AND PIPERIDINYL-ALKYL CARBAMATES CLCN2, CLIC1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 DYRK1A 4860/4885PDGFRB 1757/4885PDGFRA 1160/4885
US-20070142350-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3, H1-2 DYRK1A 4831/4885PDGFRB 3179/4885PDGFRA 2298/4885

“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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