SCHEMBL447048

SCHEMBL447048

O=C(Nc1cc(Br)cc(C(F)(F)F)c1)c1cccnc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 4/20 0.56
KDR P35968 2/20 0.53
P2RX1 P51575 8/20 0.52
P2RX7 Q99572 3/20 0.52
P2RX4 Q99571 2/20 0.52
TAS2R14 Q9NYV8 1/20 0.50
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49
TUBA1A Q71U36 1/20 0.49
TUBA1C Q9BQE3 1/20 0.49
TUBB6 Q9BUF5 1/20 0.49
TUBB2B Q9BVA1 1/20 0.49

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
SCHEMBL445818 0.82 EGLN1 (0.62) KDRTRPV1
SCHEMBL8764506 0.78 MEN1 (0.66) TMPRSS4P2RX1P2RX7P2RX4TAS2R14
SCHEMBL447630 0.76 KDR (0.53) KDRP2RX1P2RX7P2RX4TUBB4A
SCHEMBL4969614 0.76 KMT2A (0.54) P2RX1MEN1KMT2AHTTNFKB1
SCHEMBL3121274 0.76 XPO1 (0.60) TMPRSS4KDRP2RX1P2RX7P2RX4
SCHEMBL6815997 0.75 TLR8 (0.58) TMPRSS4KDRP2RX1P2RX7P2RX4
SCHEMBL445408 0.75 NTRK3 (0.57)
SCHEMBL3894313 0.74 KDR (0.63) TMPRSS4KDRTUBB4ATUBBTUBA3C
SCHEMBL129638 0.74 TMPRSS4 (0.90) TMPRSS4KDRP2RX1P2RX7P2RX4
SCHEMBL3956492 0.74 EGLN1 (0.50) KDRMEN1KMT2ATRPV1

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2013-10-17 US disclosed
EP-1537084-B1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC (US) 2013-08-21 EP disclosed
US-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 US disclosed
US-8058445-B2 Substituted pyridinecarboxamides for the treatment of cancer AMGEN INC. (US) 2011-11-15 US disclosed
EP-2311829-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2011-04-20 EP disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 US disclosed
US-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 US disclosed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP disclosed
EP-1358161-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Amgen Inc. (US) 2003-11-05 EP disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US disclosed
US-20030195230-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-16 US disclosed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 US disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 US disclosed
US-20020147198-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2002-10-10 US disclosed
WO-2002068406-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS AMGEN INC. (US) 2002-09-06 WO disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 WO disclosed
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 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 (8 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-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO TMPRSS4 3685/4885KDR 13/4885P2RX1 1309/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO TMPRSS4 3471/4885KDR 8/4885P2RX1 1318/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR TMPRSS4 2136/4885KDR 18/4885P2RX1 1358/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 TMPRSS4 3396/4885KDR 13/4885P2RX1 1920/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR TMPRSS4 2136/4885KDR 18/4885P2RX1 1358/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 TMPRSS4 3396/4885KDR 13/4885P2RX1 1920/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO TMPRSS4 3471/4885KDR 8/4885P2RX1 1318/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 TMPRSS4 2895/4885KDR 4/4885P2RX1 705/4885

“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.