SCHEMBL439371

SCHEMBL439371

COc1ccc(CNc2cc(C#N)ccn2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 9/20 0.66
DYRK1A Q13627 4/20 0.66
PDE5A O76074 1/20 0.54
VNN1 O95497 3/20 0.54
ALDH1A1 P00352 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
CLK1 P49759 1/20 0.50
TSHR P16473 3/20 0.48
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
GLA P06280 1/20 0.47
CYP3A4 P08684 1/20 0.47
NPC1 O15118 2/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL34462781 0.85 CLK4 (0.56) CLK4DYRK1AVNN1ALDH1A1CYP1A2
SCHEMBL3399312 0.85 CLK4 (0.57) CLK4DYRK1APDE5AVNN1ALDH1A1
SCHEMBL3397266 0.84 CLK4 (0.56) CLK4DYRK1APDE5AVNN1CLK1
SCHEMBL3363498 0.82 CLK4 (0.54) CLK4DYRK1APDE5AVNN1ALDH1A1
SCHEMBL16177732 0.82 CYP1A2 (0.69) CLK4ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL16185278 0.82 CYP1A2 (0.54) CLK4DYRK1AALDH1A1CYP1A2CYP2D6
SCHEMBL8422251 0.81 MEN1 (0.68) CLK4DYRK1AALDH1A1KDM4ECLK1
SCHEMBL28131061 0.80 CLK4 (0.57) CLK4DYRK1AKDM4ECLK1NPC1
SCHEMBL22122521 0.80 PDE5A (0.56) CLK4DYRK1APDE5AVNN1ALDH1A1
SCHEMBL953773 0.80 TSHR (0.56) CLK4DYRK1APDE5AVNN1ALDH1A1

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3372601-B1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2022-09-21 EP disclosed
US-10793582-B2 Bicyclic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-10-06 US disclosed
US-10793582-B2 Bicyclic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-10-06 US disclosed
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa ONO PHARMACEUTICAL CO., LTD. (JP) 2020-07-21 US disclosed
EP-3290413-B9 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2020-04-29 EP disclosed
EP-3290413-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2019-11-13 EP disclosed
US-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-08-01 US disclosed
US-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-08-01 US disclosed
EP-3372601-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2018-09-12 EP disclosed
EP-2794597-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2017-11-15 EP disclosed
US-20050153960-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2005-07-14 US disclosed
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 EP disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 US disclosed
US-20040204437-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2004-10-14 US disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO disclosed
WO-2004007457-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2004-01-22 WO disclosed
WO-2004007481-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATES DISORDERS AMGEN INC. (US) 2004-01-22 WO disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US disclosed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 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 (8 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-20050153960-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR CLK4 4298/4885DYRK1A 2470/4885PDE5A 318/4885
US-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC CLK4 4114/4885DYRK1A 3566/4885PDE5A 128/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR CLK4 4298/4885DYRK1A 2470/4885PDE5A 318/4885
US-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND KAT2A, KAT7, KAT5 CLK4 1016/4885DYRK1A 4256/4885PDE5A 2534/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR CLK4 4298/4885DYRK1A 2470/4885PDE5A 318/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 CLK4 3435/4885DYRK1A 2254/4885PDE5A 75/4885
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa F11, TFPI, F10 CLK4 4767/4885DYRK1A 3716/4885PDE5A 634/4885
US-10793582-B2 Bicyclic heterocyclic compound KAT2A, KAT7, KAT5 CLK4 1116/4885DYRK1A 4411/4885PDE5A 3131/4885

“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.