SCHEMBL185950

SCHEMBL185950

NC(=O)c1ccc(Nc2ccc(F)cc2C(F)(F)F)cn1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 8/20 0.55
KIT P10721 6/20 0.55
KMT2A Q03164 1/20 0.48
MAPK10 P53779 3/20 0.43
VNN1 O95497 1/20 0.42
PTK2 Q05397 2/20 0.41
HDAC3 O15379 3/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
NCOR2 Q9Y618 2/20 0.41
NCOR1 O75376 1/20 0.41
MAPK8 P45983 1/20 0.40

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
Hydrochloric Acid SCHEMBL2805862 0.99 FLT3 (0.54) FLT3KITKMT2AMAPK10VNN1
SCHEMBL2804906 0.88 FLT3 (0.53) FLT3KITKMT2AMAPK10VNN1
SCHEMBL185903 0.87 KIT (0.44) FLT3KITMAPK10PTK2HDAC3
SCHEMBL2780905 0.84 FLT3 (0.57) FLT3KITKMT2AMAPK10PTK2
Trifluoroacetic Acid SCHEMBL185821 0.83 FLT3 (0.49) FLT3KITKMT2AMAPK10VNN1
Trifluoroacetic Acid SCHEMBL185939 0.83 FLT3 (0.49) FLT3KITKMT2AMAPK10VNN1
Trifluoroacetic Acid SCHEMBL2807127 0.83 FLT3 (0.49) FLT3KITKMT2AMAPK10VNN1
SCHEMBL2808253 0.80 KIT (0.38) FLT3KITMAPK10HDAC3HDAC1
SCHEMBL185082 0.80 KIT (0.38) FLT3KITMAPK10HDAC3HDAC1
SCHEMBL2808251 0.80 KIT (0.38) FLT3KITMAPK10HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 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 (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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 FLT3 632/4885KIT 989/4885KMT2A 4682/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 FLT3 632/4885KIT 989/4885KMT2A 4682/4885

“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.