SCHEMBL196929

SCHEMBL196929

CC(=O)Nc1ccc(/C=C/C(=O)c2ccncc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.74
MEN1 O00255 6/20 0.74
KMT2A Q03164 6/20 0.74
RAB9A P51151 4/20 0.74
NPC1 O15118 3/20 0.74
MAPK1 P28482 1/20 0.74
CYP1A1 P04798 3/20 0.61
CYP1A2 P05177 3/20 0.61
CYP2D6 P10635 3/20 0.61
CYP1B1 Q16678 3/20 0.61
LMNA P02545 4/20 0.59
TP53 P04637 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
TUBB4A P04350 1/20 0.59
TUBB P07437 1/20 0.59
TUBA3C P0DPH7 1/20 0.59
TUBA1B P68363 1/20 0.59
TUBA4A P68366 1/20 0.59
TUBB4B P68371 1/20 0.59
TUBB3 Q13509 1/20 0.59

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
SCHEMBL196930 1.00 MAPT (0.74) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL8485074 0.85 MAPT (1.00) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL8485080 0.85 MAPT (1.00) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL22009555 0.84 TSHR (0.60) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL25185071 0.84 MAPT (0.76) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL25193659 0.84 MAPT (0.76) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL25196901 0.84 MAPT (0.76) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL8484340 0.84 MAPT (0.76) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL25232280 0.84 MAPT (0.76) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL8484337 0.84 MAPT (0.76) MAPTMEN1KMT2ARAB9ANPC1

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 17 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
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

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 3600/4885MEN1 1940/4885KMT2A 2305/4885
US-20090074884-A1 FAMILY OF PFKFB3 INHIBITORS WITH ANTI-NEOPLASTIC ACTIVITIES PFKFB3, PFKFB2, PFKFB1 MAPT 3600/4885MEN1 1940/4885KMT2A 2305/4885

“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.