SCHEMBL2299374

SCHEMBL2299374

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1N1CCC2(CC1)OCCO2

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.57
RAF1 P04049 11/20 0.56
BRAF P15056 10/20 0.56
PDGFRB P09619 2/20 0.55
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
CSF1R P07333 2/20 0.52
KIT P10721 1/20 0.52
MAPK14 Q16539 1/20 0.52
TP53 P04637 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL2239151 0.83 KDR (0.66) KDRRAF1BRAFPDGFRBMAPT
SCHEMBL14433880 0.76 ALDH1A1 (0.67) MAPTLMNATP53KMT2A
SCHEMBL12858514 0.76 MAPT (0.74) KDRMAPTLMNACSF1RKIT
SCHEMBL15238534 0.76 RAF1 (0.54) RAF1BRAFMAPTLMNAKMT2A
SCHEMBL2304413 0.74 TTR (0.51) LMNAKMT2A
SCHEMBL29071250 0.74 MAPT (0.67) KDRMAPTLMNACSF1RKIT
SCHEMBL20467572 0.73 MAPT (0.70) KDRMAPTLMNACSF1RKIT
SCHEMBL1264375 0.73 MAPT (0.74) KDRMAPTLMNACSF1RKIT
SCHEMBL12352571 0.73 KDR (0.61) KDRRAF1BRAFPDGFRBMAPT
SCHEMBL14481034 0.73 KDR (0.61) KDRRAF1BRAFPDGFRBMAPT

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 13 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
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-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
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 KDR 663/4885RAF1 141/4885BRAF 73/4885
US-20130143895-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS JAK2, SRC, JAK1 KDR 663/4885RAF1 141/4885BRAF 73/4885

“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.