SCHEMBL445267

SCHEMBL445267

NC(=O)c1ccc(-c2cccnc2NCCc2cccnc2)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VNN1 O95497 5/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ APAF1 O14727 1/20 0.45
▸ PABPC1 P11940 1/20 0.45
▸ CASP6 P55212 1/20 0.45
▸ CASP8 Q14790 1/20 0.45
▸ CYP3A4 P08684 5/20 0.45
▸ CYP1A2 P05177 4/20 0.45
▸ CYP2D6 P10635 4/20 0.45
▸ CYP2C19 P33261 4/20 0.45
▸ KDM4E B2RXH2 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ CLK4 Q9HAZ1 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 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
SCHEMBL6105266 0.87 MEN1 (0.45) VNN1L3MBTL1CASP6KDM4ENPC1
SCHEMBL6104003 0.83 CYP1A2 (0.49) VNN1CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL444538 0.81 TSHR (0.41) VNN1CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL6106240 0.79 VNN1 (0.49) VNN1CASP6KDM4EMAPTKDR
SCHEMBL6103869 0.79 PTK2 (0.48) VNN1KDM4EALDH1A1HPGDKDR
SCHEMBL6104556 0.79 PTK2 (0.48) VNN1CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL6107998 0.78 VNN1 (0.48) VNN1KDM4EALDH1A1MAPTHPGD
SCHEMBL6105748 0.78 VNN1 (0.46) VNN1CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL448286 0.78 CYP3A4 (0.41) VNN1CASP6CYP3A4CYP1A2CYP2D6
SCHEMBL6106129 0.78 VNN1 (0.50) VNN1

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-1798230-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2007-06-20 — — EP claimed
US-20060040956-A1 Substituted alkylamine derivatives and methods of use CHEN GUOQING 2006-02-23 — — US claimed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 — — US claimed
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
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-2311808-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2011-04-20 — — EP 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
EP-1798230-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2007-06-20 — — EP disclosed
US-20060040956-A1 Substituted alkylamine derivatives and methods of use CHEN GUOQING 2006-02-23 — — US disclosed
US-6995162-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2006-02-07 — — US disclosed
US-20050261313-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2005-11-24 — — US disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 — — US disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 — — US disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 — — 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 (6 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-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC VNN1 1373/4885L3MBTL1 1694/4885APAF1 2399/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO VNN1 1132/4885L3MBTL1 2156/4885APAF1 1987/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO VNN1 1287/4885L3MBTL1 1828/4885APAF1 1912/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC VNN1 1373/4885L3MBTL1 1694/4885APAF1 2399/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO VNN1 1287/4885L3MBTL1 1828/4885APAF1 1912/4885
US-20060040956-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO VNN1 1132/4885L3MBTL1 2156/4885APAF1 1987/4885

“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.

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