SCHEMBL1898192

SCHEMBL1898192

Nc1c(Cl)ncnc1Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.53
MAP4K4 O95819 2/20 0.50
PIM1 P11309 2/20 0.50
MAP4K2 Q12851 2/20 0.50
DYRK1A Q13627 2/20 0.50
PIM3 Q86V86 2/20 0.50
AURKB Q96GD4 2/20 0.50
CLK4 Q9HAZ1 2/20 0.50
ABL1 P00519 2/20 0.50
BCL6 P41182 2/20 0.50
DYRK3 O43781 1/20 0.50
CLK2 P49760 1/20 0.50
IRAK1 P51617 1/20 0.50
CSNK2A1 P68400 1/20 0.50
HIPK4 Q8NE63 1/20 0.50
SRPK1 Q96SB4 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
CSNK1G1 Q9HCP0 1/20 0.50
TTBK1 Q5TCY1 1/20 0.50
TTBK2 Q6IQ55 1/20 0.50

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
SCHEMBL1896427 0.86 TTBK1 (0.55) EGFRTTBK1TTBK2HTTMAPT
SCHEMBL3061494 0.83 EGFR (0.62) EGFRABL1TTBK1TTBK2ERBB2
SCHEMBL17815581 0.83 EGFR (0.49) EGFRTTBK1TTBK2MAPTLMNA
SCHEMBL17815587 0.83 GALR3 (0.58) EGFRTTBK1TTBK2MAPK1HTT
SCHEMBL17815594 0.83 EGFR (0.47) EGFRAURKBCLK4MKNK2TTBK1
SCHEMBL6237775 0.81 EGFR (0.61) EGFRAURKBERBB2ABCG2
SCHEMBL839219 0.79 TTBK1 (0.57) EGFRTTBK1TTBK2MAPK1HTT
SCHEMBL769494 0.79 EGFR (0.54) EGFRTTBK1
SCHEMBL9726894 0.79 ABCG2 (0.54) EGFRDYRK1ATTBK1TTBK2ERBB2
SCHEMBL855999 0.79 EGFR (0.54) EGFRMAP4K4PIM1MAP4K2DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10414768-B2 Compounds for treating cystic fibrosis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-09-17 US disclosed
US-10414768-B2 Compounds for treating cystic fibrosis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-09-17 US disclosed
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS UNIVERSITE PIERRE ET MARIE CURIE - PARIS 6 (UPMC) (FR) 2017-12-21 US disclosed
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS UNIVERSITE PIERRE ET MARIE CURIE - PARIS 6 (UPMC) (FR) 2017-12-21 US disclosed
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS UNIVERSITE PIERRE ET MARIE CURIE - PARIS 6 (UPMC) (FR) 2017-12-21 US disclosed
WO-2016087665-A2 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-06-09 WO disclosed
WO-2015078799-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-04 WO disclosed
US-8785453-B2 Arylpiperazine-containing purine derivatives and uses thereof GREEN CROSS CORPORATION (KR) 2014-07-22 US disclosed
US-8785453-B2 Arylpiperazine-containing purine derivatives and uses thereof GREEN CROSS CORPORATION (KR) 2014-07-22 US disclosed
US-8785453-B2 Arylpiperazine-containing purine derivatives and uses thereof GREEN CROSS CORPORATION (KR) 2014-07-22 US disclosed
US-20120232090-A1 ARYLPIPERAZINE-CONTAINING PURINE DERIVATIVES AND USES THEREOF GREEN CROSS CORPORATION (KR) 2012-09-13 US disclosed
US-8236809-B2 Substituted 1,2,3-triazolopyrimidines for the inhibition of NAD(P)H oxidases and platelet activation VASOPHARM GMBH (DE) 2012-08-07 US disclosed
CN-1989140-B Compounds containing a n-heteroaryl moiety linked to fused ring moieties for the inhibition of nad(p)h oxidases and platelet activation VASOPHARM BIOTECH GMBH 2012-01-11 CN disclosed
WO-2011059207-A2 ARYLPIPERAZINE-CONTAINING PURINE DERIVATIVES AND USES THEREOF GREEN CROSS CORPORATION (KR) 2011-05-19 WO disclosed
WO-2011059207-A2 ARYLPIPERAZINE-CONTAINING PURINE DERIVATIVES AND USES THEREOF GREEN CROSS CORPORATION (KR) 2011-05-19 WO disclosed
US-20080044354-A1 Compounds Containing a N-Heteroaryl Moiety Linked to Fused Ring Moieties for the Inhibition of Nad(P)H Oxidases and Platelet Activation VASOPHARM GMBH (DE) 2008-02-21 US disclosed
CN-1989140-A Compounds containing a n-heteroaryl moiety linked to fused ring moieties for the inhibition of nad(p)h oxidases and platelet activation VASOPHARM BIOTECH GMBH (DE) 2007-06-27 CN disclosed
EP-1756113-A1 COMPOUNDS CONTAINING A N-HETEROARYL MOIETY LINKED TO FUSED RING MOIETIES FOR THE INHIBITION OF NAD(P)H OXIDASES AND PLATELET ACTIVATION Vasopharm Biotech GmbH (DE) 2007-02-28 EP disclosed
WO-2005111041-A1 COMPOUNDS CONTAINING A N-HETEROARYL MOIETY LINKED TO FUSED RING MOIETIES FOR THE INHIBITION OF NAD(P)H OXIDASES AND PLATELET ACTIVATION VASOPHARM BIOTECH GMBH (DE) 2005-11-24 WO disclosed
EP-1598354-A1 Compounds containing a N-heteroaryl moiety linked to fused ring moieties for the inhibition of NAD(P)H oxidases and platelet activation Vasopharm Biotech GmbH (DE) 2005-11-23 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 (4 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-10414768-B2 Compounds for treating cystic fibrosis CFTR, ABCB11, SLC26A4 EGFR 1817/4885MAP4K4 3526/4885PIM1 1613/4885
US-20120232090-A1 ARYLPIPERAZINE-CONTAINING PURINE DERIVATIVES AND USES THEREOF ADORA2A, P2RX5, PNP EGFR 4696/4885MAP4K4 2781/4885PIM1 4541/4885
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CFTR, ABCB11, SLC26A4 EGFR 1817/4885MAP4K4 3526/4885PIM1 1613/4885
US-20080044354-A1 Compounds Containing a N-Heteroaryl Moiety Linked to Fused Ring Moieties for the Inhibition of Nad(P)H Oxidases and Platelet Activation NQO1, CYBB, NADK EGFR 3890/4885MAP4K4 1984/4885PIM1 2401/4885

“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.