SCHEMBL7653937

SCHEMBL7653937

O=Cc1ccc2[nH]c(C(F)(F)F)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.53
KDM4E B2RXH2 5/20 0.47
MAPT P10636 4/20 0.47
HPGD P15428 3/20 0.47
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP2A6 P11509 2/20 0.41
PKM P14618 1/20 0.41
KIF11 P52732 2/20 0.39
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38

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
SCHEMBL4234950 0.87 ALDH1A1 (0.58) NPSR1KDM4EMAPTHPGDPOLB
SCHEMBL5681855 0.76 NPSR1 (0.59) NPSR1KDM4EMAPTHPGDPOLB
SCHEMBL4739312 0.75 CYP2A6 (0.34) SMN1; SMN2ALDH1A1L3MBTL1CYP2A6KIF11
SCHEMBL889055 0.75 CYP2A6 (0.44) KDM4EMAPTHPGDPOLBSMN1; SMN2
SCHEMBL29957251 0.75 CYP2A6 (0.44) KDM4EMAPTHPGDPOLBSMN1; SMN2
SCHEMBL2361718 0.75 CYP2A6 (0.44) KDM4EALDH1A1HSD17B10CYP2A6KIF11
SCHEMBL4742869 0.75 ALDH1A1 (0.48) ALDH1A1CYP2A6KIF11MEN1KMT2A
SCHEMBL7245705 0.75 CYP2A6 (0.44) KDM4EMAPTHPGDALDH1A1CYP2A6
SCHEMBL19364798 0.75 CYP2A6 (0.44) KDM4EMAPTHPGDPOLBSMN1; SMN2
SCHEMBL1284461 0.75 NPSR1 (0.58) NPSR1KDM4EMAPTHPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233797-B1 MAP4K4 (HGK) INHIBITORS Sri int inc (US) 2019-05-08 EP disclosed
US-10000451-B2 MAP4K4 (HGK) inhibitors SRI INTERNATIONAL (US) 2018-06-19 US disclosed
US-20170320824-A1 MAP4K4 (HGK) Inhibitors SRI INTERNATIONAL (US) 2017-11-09 US disclosed
EP-3233797-A1 MAP4K4 (HGK) Inhibitors SRI International Inc. (US) 2017-10-25 EP disclosed
WO-2016114816-A1 MAP4K4 (HGK) Inhibitors SRI INTERNATIONAL (US) 2016-07-21 WO disclosed
US-6399642-B2 TRIS BENZIMIDAZOLES; FUNGICIDES, ANTICARCINOGENIC AGENTS, ENZYME INHIBITOR RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2002-06-04 US disclosed
US-20010009919-A1 Heterocyclic topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2001-07-26 US disclosed
US-6221892-B1 Heterocyclic topoisomerase poisons THE STATE OF UNIVERSITY OF NEW JERSEY, RUTGERS 2001-04-24 US disclosed
EP-1054870-A1 HETEROCYCLIC TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2000-11-29 EP disclosed
US-6063801-A Heterocyclic topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2000-05-16 US disclosed
WO-1999041241-A1 HETEROCYCLIC TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1999-08-19 WO disclosed
US-RE33948-E Bactericides, animal growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1992-06-02 US disclosed
US-4748163-A Novel β-lactam antibiotics BAYER AKTIENGESELLSCHAFT (DE) 1988-05-31 US disclosed
EP-0195947-A2 Beta-lactam antibiotics, process for their preparation and their use as and in medicaments BAYER AG (DE) 1986-10-01 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-20170320824-A1 MAP4K4 (HGK) Inhibitors MAP4K4, MAP4K2, MAP4K3 NPSR1 4052/4885KDM4E 971/4885MAPT 308/4885
US-20010009919-A1 Heterocyclic topoisomerase poisons TOP1, TOP2A, TOP2B NPSR1 4090/4885KDM4E 2275/4885MAPT 3332/4885
US-10000451-B2 MAP4K4 (HGK) inhibitors MAP4K4, MAP4K2, MAP4K3 NPSR1 4052/4885KDM4E 971/4885MAPT 308/4885

“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.