SCHEMBL1668498

SCHEMBL1668498

CSC(=N)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.46
F10 P00742 1/20 0.46
F12 P00748 1/20 0.46
F7 P08709 1/20 0.46
F3 P13726 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
BLM P54132 1/20 0.44
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
C1S P09871 1/20 0.42
PRSS3 P35030 1/20 0.42
RECQL P46063 1/20 0.42
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40

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
Iodide SCHEMBL2241002 0.97 F2 (0.44) F2F10F12F7F3
SCHEMBL19608218 0.81 PRSS1 (0.58) PRSS1PRSS2PRSS3MAPTHDAC8
SCHEMBL24761126 0.75 F2 (0.42) F2F10F12F7F3
SCHEMBL1981632 0.75 MAPT (0.48) KMT2AMEN1CA1CA2ALDH1A1
SCHEMBL13933397 0.75 LMNA (0.48) KMT2AMEN1CA1CA2ALDH1A1
SCHEMBL8388749 0.75
SCHEMBL12127801 0.75 HDAC8 (0.50) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL15219042 0.74 F2 (0.52) F2F10F12F7F3
SCHEMBL2221846 0.73 C1S (0.57) KMT2AMEN1C1SALDH1A1MAPT
SCHEMBL90851 0.73 PARP1 (0.47) PKMKMT2AMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0005385-B1 PIPERAZINE METHANE IMINE DERIVATIVES, METHODS FOR THEIR PREPARATION AND THEIR THERAPEUTICAL USE LAROCHE NAVARRON S.A. Société dite: (FR) 1982-09-01 EP claimed
US-20170217958-A1 PYRAZOLE DERIVATIVE MANUFACTURING METHOD MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
US-20170217958-A1 PYRAZOLE DERIVATIVE MANUFACTURING METHOD MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
US-9550757-B2 Nuclear transport modulators and uses thereof Karyopharm Therapeutics Inc. (US) 2017-01-24 US disclosed
US-9550757-B2 Nuclear transport modulators and uses thereof Karyopharm Therapeutics Inc. (US) 2017-01-24 US disclosed
US-20160376266-A1 ANTI-ALPHAVBETA1 INTEGRIN COMPOUNDS AND METHODS UNIV CALIFORNIA (US) 2016-12-29 US disclosed
US-9303000-B2 Olefin containing nuclear transport modulators and uses thereof Karyopharm Therapeutics Inc. (US) 2016-04-05 US disclosed
EP-2590655-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2015-06-24 EP disclosed
WO-2015048819-A1 ANTI-ALPHAVBETA1 INTEGRIN COMPOUNDS AND METHODS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-04-02 WO disclosed
US-20140155370-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF Karyopharm Therapeutics Inc. 2014-06-05 US disclosed
WO-2009010479-A2 HETEROCYCLIC METHYLENE PIPERIDINE DERIVATIVES AND THEIR USE EUROSCREEN S.A. (BE) 2009-01-22 WO disclosed
WO-2009010479-A2 HETEROCYCLIC METHYLENE PIPERIDINE DERIVATIVES AND THEIR USE EUROSCREEN S.A. (BE) 2009-01-22 WO disclosed
EP-1917251-A2 5-RING HETEROAROMATIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
US-7202243-B2 Substituted imidazotriazines BAYER HEALTHCARE AG (DE) 2007-04-10 US disclosed
US-7202243-B2 Substituted imidazotriazines BAYER HEALTHCARE AG (DE) 2007-04-10 US disclosed
WO-2007022947-A2 5-RING HETEROAROMATIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 WO disclosed
WO-2005118584-A2 SAFRAMYCIN ANALOGS AS THERAPEUTIC AGENTS IN THE TREATMENT OF CANCER AXYS PHARMACEUTICALS, INC. (US) 2005-12-15 WO disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 WO disclosed
EP-0082113-A1 2-Aminobytyl-2-penem derivatives, process for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1983-06-22 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-20170217958-A1 PYRAZOLE DERIVATIVE MANUFACTURING METHOD CYP3A7, CYP2C19, CYP3A5 F2 428/4885F10 1566/4885F12 156/4885
US-20140155370-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XPO1, NXF1, XPOT F2 4302/4885F10 3434/4885F12 2847/4885
US-20160376266-A1 ANTI-ALPHAVBETA1 INTEGRIN COMPOUNDS AND METHODS ITGB1, ITGAV, ITGA1 F2 1729/4885F10 1242/4885F12 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.