SCHEMBL197677

SCHEMBL197677

O=C(/C=C/c1ccccc1Cl)c1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.62
LMNA P02545 5/20 0.62
NPC1 O15118 5/20 0.62
RAB9A P51151 5/20 0.62
KDM4E B2RXH2 4/20 0.62
ALDH1A1 P00352 3/20 0.62
PKM P14618 3/20 0.62
POLB P06746 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
KMT2A Q03164 5/20 0.61
HPGD P15428 1/20 0.61
MEN1 O00255 4/20 0.55
HSP90AA1 P07900 1/20 0.55
GRM5 P41594 1/20 0.53
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP1A1 P04798 1/20 0.52
AHR P35869 1/20 0.52
CYP1B1 Q16678 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL197678 1.00 MAPT (0.62) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL10707008 0.84 MAPT (0.62) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL3595210 0.83 MAPT (0.64) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL3595206 0.83 MAPT (0.64) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL9224095 0.81 RAB9A (0.62) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL31088325 0.81 MAPT (0.62) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL9224101 0.81 RAB9A (0.62) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL31088328 0.81 MAPT (0.62) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL21904646 0.80 MAOB (0.68) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL4908405 0.78 MAPT (0.78) MAPTLMNANPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167058-B1 FAMILY OF PFKFB3 INHIBITORS WITH ANTI-NEOPLASTIC ACTIVITIES UNIV LOUISVILLE RES FOUND (US) 2015-08-12 EP disclosed
EP-2167058-B1 FAMILY OF PFKFB3 INHIBITORS WITH ANTI-NEOPLASTIC ACTIVITIES UNIV LOUISVILLE RES FOUND (US) 2015-08-12 EP disclosed
US-8557823-B2 Family of PFKFB3 inhibitors with anti-neoplastic activities ADVANCED CANCER THERAPEUTICS, LLC (US) 2013-10-15 US disclosed
US-8557823-B2 Family of PFKFB3 inhibitors with anti-neoplastic activities ADVANCED CANCER THERAPEUTICS, LLC (US) 2013-10-15 US disclosed
US-8557823-B2 Family of PFKFB3 inhibitors with anti-neoplastic activities ADVANCED CANCER THERAPEUTICS, LLC (US) 2013-10-15 US disclosed
WO-2013007766-A1 MEANS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL ANGIOGENESIS VIB VZW (BE) 2013-01-17 WO disclosed
WO-2012119949-A1 MEANS AND METHODS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS VIB VZW (BE) 2012-09-13 WO disclosed
US-20120177749-A1 FAMILY OF PFKFB3 INHIBITORS WITH ANTI-NEOPLASTIC ACTIVITIES UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2012-07-12 US disclosed
US-20120177749-A1 FAMILY OF PFKFB3 INHIBITORS WITH ANTI-NEOPLASTIC ACTIVITIES UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2012-07-12 US disclosed
US-20120177749-A1 FAMILY OF PFKFB3 INHIBITORS WITH ANTI-NEOPLASTIC ACTIVITIES UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2012-07-12 US disclosed
US-8088385-B2 PFKB3 inhibitor for the treatment of a proliferative cancer UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION INC. (US) 2012-01-03 US disclosed
US-8088385-B2 PFKB3 inhibitor for the treatment of a proliferative cancer UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION INC. (US) 2012-01-03 US disclosed
US-8088385-B2 PFKB3 inhibitor for the treatment of a proliferative cancer UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION INC. (US) 2012-01-03 US disclosed
EP-2167058-A2 FAMILY OF PFKFB3 INHIBITORS WITH ANTI-NEOPLASTIC ACTIVITIES University Of Louisville Research Foundation, Inc. (US) 2010-03-31 EP disclosed
US-20090074884-A1 FAMILY OF PFKFB3 INHIBITORS WITH ANTI-NEOPLASTIC ACTIVITIES UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. 2009-03-19 US disclosed
US-20090074884-A1 FAMILY OF PFKFB3 INHIBITORS WITH ANTI-NEOPLASTIC ACTIVITIES UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. 2009-03-19 US disclosed
US-20090074884-A1 FAMILY OF PFKFB3 INHIBITORS WITH ANTI-NEOPLASTIC ACTIVITIES UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. 2009-03-19 US disclosed
WO-2008156783-A2 FAMILY OF PFKFB3 INHIBITORS WITH ANTI-NEOPLASTIC ACTIVITIES UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2008-12-24 WO disclosed
WO-2008156783-A2 FAMILY OF PFKFB3 INHIBITORS WITH ANTI-NEOPLASTIC ACTIVITIES UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2008-12-24 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-20120177749-A1 FAMILY OF PFKFB3 INHIBITORS WITH ANTI-NEOPLASTIC ACTIVITIES PFKFB3, PFKFB2, PFKFB1 MAPT 3600/4885LMNA 4024/4885NPC1 4051/4885
US-20090074884-A1 FAMILY OF PFKFB3 INHIBITORS WITH ANTI-NEOPLASTIC ACTIVITIES PFKFB3, PFKFB2, PFKFB1 MAPT 3600/4885LMNA 4024/4885NPC1 4051/4885

“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.