SCHEMBL2238255

SCHEMBL2238255

Cc1cc(NC(=N)N)ccc1N1CCN(C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 6/20 0.48
HTR1B P28222 4/20 0.48
HTR1A P08908 3/20 0.48
KDM4E B2RXH2 2/20 0.46
KIT P10721 1/20 0.44
PDGFRA P16234 1/20 0.44
KDR P35968 1/20 0.44
HTR2A P28223 1/20 0.44
TMPRSS2 O15393 1/20 0.44
SLC6A4 P31645 1/20 0.44
NPY2R P49146 1/20 0.44
NPC1 O15118 4/20 0.43
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
EGFR P00533 1/20 0.42
RAB9A P51151 3/20 0.42
EML4 Q9HC35 1/20 0.42

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
SCHEMBL4156611 0.87 ALDH1A1 (0.50) KDM4ENPY2RNPC1ALDH1A1RAB9A
SCHEMBL4150725 0.86 NPC1 (0.56) KDM4ENPY2RNPC1ALDH1A1RAB9A
SCHEMBL4173591 0.84 MAPT (0.47) KDM4EKITPDGFRAKDRNPC1
Bicarbonate SCHEMBL3552209 0.82 NPY2R (0.52) HTR1DHTR1BHTR1ANPY2RNPC1
SCHEMBL29761404 0.81 CDK4 (0.48) KDM4EKITPDGFRAKDRNPY2R
SCHEMBL4150792 0.81 CDK4 (0.48) KDM4EKITPDGFRAKDRNPY2R
SCHEMBL14448353 0.81 KDM4E (0.45) HTR1DKDM4ETMPRSS2SLC6A4NPC1
SCHEMBL24773731 0.79 JAK2 (0.48) HTR1DHTR1BHTR1AKDM4EKIT
SCHEMBL2233880 0.79 RAB9A (0.57) KDM4ENPC1ALDH1A1RAB9AMAPT
SCHEMBL29578146 0.78 HTR1D (0.51) HTR1DHTR1BHTR1AKDM4EKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962637-B2 Bicyclic compounds and their uses as dual c-SRC/JAK inhibitors DEBIOPHARM S.A. (CH) 2015-02-24 US disclosed
US-8962637-B2 Bicyclic compounds and their uses as dual c-SRC/JAK inhibitors DEBIOPHARM S.A. (CH) 2015-02-24 US disclosed
US-8962637-B2 Bicyclic compounds and their uses as dual c-SRC/JAK inhibitors DEBIOPHARM S.A. (CH) 2015-02-24 US disclosed
EP-2536722-B1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS DEBIOPHARM SA (CH) 2014-04-16 EP disclosed
EP-2536722-B1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS DEBIOPHARM SA (CH) 2014-04-16 EP disclosed
US-20130143895-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS DEBIOPHARM S.A. (CH) 2013-06-06 US disclosed
US-20130143895-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS DEBIOPHARM S.A. (CH) 2013-06-06 US disclosed
US-20130143895-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS DEBIOPHARM S.A. (CH) 2013-06-06 US disclosed
US-8440679-B2 Bicyclic compounds and their uses as dual c-SRC / JAK inhibitors DEBIOPHARM S.A. (CH) 2013-05-14 US disclosed
US-8440679-B2 Bicyclic compounds and their uses as dual c-SRC / JAK inhibitors DEBIOPHARM S.A. (CH) 2013-05-14 US disclosed
US-8440679-B2 Bicyclic compounds and their uses as dual c-SRC / JAK inhibitors DEBIOPHARM S.A. (CH) 2013-05-14 US disclosed
US-20130012518-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LTD. (IN) 2013-01-10 US disclosed
US-20130012518-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LTD. (IN) 2013-01-10 US disclosed
US-20130012518-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LTD. (IN) 2013-01-10 US disclosed
CN-102858770-A Bicyclic Compounds And Their Uses As Dual C-src / Jak Inhibitors DEBIOPHARM SA 2013-01-02 CN disclosed
EP-2536722-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS Debiopharm S.A. (CH) 2012-12-26 EP disclosed
WO-2011101806-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS DEBIOPHARM S.A. (CH) 2011-08-25 WO disclosed
WO-2011101806-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS DEBIOPHARM S.A. (CH) 2011-08-25 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 (2 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-20130012518-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS JAK2, SRC, JAK1 HTR1D 4403/4885HTR1B 4028/4885HTR1A 4404/4885
US-20130143895-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS JAK2, SRC, JAK1 HTR1D 4403/4885HTR1B 4028/4885HTR1A 4404/4885

“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.