SCHEMBL3605356

SCHEMBL3605356

O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1nc2ccccc2s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
KDR P35968 2/20 0.62
GAA P10253 2/20 0.61
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
POLB P06746 2/20 0.59
LMNA P02545 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
RAF1 P04049 1/20 0.59
BRAF P15056 1/20 0.59
HSD17B10 Q99714 3/20 0.58
BLM P54132 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57

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
SCHEMBL4918430 0.87 KDR (0.62) KDRRAF1BRAFBLMCA1
SCHEMBL18824175 0.86 KDR (0.58) MAPTMEN1KMT2AKDRLMNA
SCHEMBL18851482 0.83 KDR (0.55) MAPTMEN1KMT2AKDRRAF1
SCHEMBL21568119 0.83 MAPT (0.71) MAPTMEN1KMT2AKDRGAA
SCHEMBL4561505 0.81 HSD17B10 (0.77) MAPTMEN1KMT2AGAANPC1
SCHEMBL30785353 0.81 HSD17B10 (0.77) MAPTMEN1KMT2AGAANPC1
SCHEMBL26034874 0.80 MAPT (1.00) MAPTMEN1KMT2AGAANPC1
SCHEMBL540965 0.80 MAPT (0.79) MAPTMEN1KMT2AKDRGAA
SCHEMBL118026 0.79 KDR (1.00) KDRCA1CA2CA7CA9
SCHEMBL29364392 0.79 KDR (1.00) KDRCA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 US claimed
EP-1928848-A2 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE Apogee Biothechnology Corporation (US) 2008-06-11 EP claimed
WO-2007019251-A9 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORP (US) 2007-04-19 WO claimed
WO-2007019251-A2 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-15 WO claimed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 US claimed
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2012-05-17 US disclosed
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 US disclosed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 US 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-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE SPHK1, SPHK2, S1PR2 MAPT 2371/4885MEN1 2826/4885KMT2A 2486/4885
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 MAPT 4596/4885MEN1 4490/4885KMT2A 4046/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 MAPT 2338/4885MEN1 2786/4885KMT2A 2406/4885

“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.