SCHEMBL2686348

SCHEMBL2686348

Cc1nc2cc(-c3nc4cc(OC(F)(F)F)ccc4o3)ccc2n1C1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 8/20 0.43
PKM P14618 2/20 0.42
USP2 O75604 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CETP P11597 1/20 0.41
F2RL3 Q96RI0 2/20 0.40
HPSE Q9Y251 1/20 0.38
USP30 Q70CQ3 1/20 0.38
CYP2D6 P10635 1/20 0.38
BRD4 O60885 1/20 0.38
PRKACA P17612 1/20 0.36
RPS6KB1 P23443 1/20 0.36
GSK3B P49841 1/20 0.36
ROCK1 Q13464 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL2687348 0.89 PRKACA (0.47) PKMUSP2HDAC6CYP2D6PRKACA
SCHEMBL2688342 0.86 USP2 (0.58) PKMUSP2HDAC3HDAC1HDAC2
SCHEMBL2687278 0.85 KDM4E (0.51) PKMUSP2PRKACARPS6KB1GSK3B
SCHEMBL2687040 0.83 MAPT (0.49) PKMUSP2KDM4EALDH1A1MAPT
SCHEMBL2688389 0.83 USP2 (0.47) PKMUSP2HDAC3HDAC1HDAC2
SCHEMBL2686940 0.83 KDM4E (0.51) PKMUSP2KDM4EALDH1A1MAPT
SCHEMBL2688684 0.81 MET (0.44) PKMUSP2KDM4EALDH1A1MAPT
SCHEMBL2687032 0.81 CETP (0.49) PKMUSP2HDAC6CETP
SCHEMBL10219658 0.81 USP2 (0.39) PKMUSP2CETPBRD4KDM4E
SCHEMBL2688345 0.81 RPS6KB1 (0.51) IDH1PKMUSP2HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829035-B2 Agent for treatment or prevention of diseases associated with activity of neurotrophic factors SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-09 US disclosed
US-8829035-B2 Agent for treatment or prevention of diseases associated with activity of neurotrophic factors SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-09 US disclosed
EP-2436683-B1 AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS SUMITOMO CHEMICAL CO (JP) 2014-05-14 EP disclosed
US-20120115856-A1 AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-10 US disclosed
US-20120115856-A1 AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-10 US disclosed
WO-2010137349-A1 AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS 住友化学株式会社 (JP) 2010-12-02 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 (1 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-20120115856-A1 AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS BDNF, NGF, NTRK2 IDH1 4129/4885PKM 4571/4885USP2 4035/4885

“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.