SCHEMBL427683

SCHEMBL427683

O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1NCCNc1ccccn1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 6/20 0.75
▸ MEN1 O00255 5/20 0.75
▸ KMT2A Q03164 5/20 0.75
▸ MAPT P10636 5/20 0.75
▸ LMNA P02545 5/20 0.75
▸ ALDH1A1 P00352 3/20 0.75
▸ HTT P42858 3/20 0.75
▸ L3MBTL1 Q9Y468 2/20 0.75
▸ NPSR1 Q6W5P4 2/20 0.75
▸ HPGD P15428 1/20 0.75
▸ KDR P35968 3/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ POLB P06746 2/20 0.55
▸ P2RX1 P51575 1/20 0.54
▸ ABL1 P00519 1/20 0.53
▸ EGFR P00533 1/20 0.53
▸ CSF1R P07333 1/20 0.53
▸ PDGFRB P09619 1/20 0.53
▸ KIT P10721 1/20 0.53
▸ FLT1 P17948 1/20 0.53

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
SCHEMBL3109871 0.83 RXFP1 (0.81) RXFP1MEN1KMT2AMAPTLMNA
SCHEMBL3118645 0.83 MEN1 (0.87) RXFP1MEN1KMT2AMAPTLMNA
Hydrochloric Acid SCHEMBL4405252 0.82 RXFP1 (0.80) RXFP1MEN1KMT2AMAPTLMNA
SCHEMBL427615 0.80 KDR (0.84) RXFP1MEN1KMT2AMAPTLMNA
SCHEMBL3106390 0.80 KDR (0.70) RXFP1MEN1KMT2AMAPTLMNA
Hydrochloric Acid SCHEMBL447740 0.80 KDR (0.83) RXFP1MEN1KMT2AMAPTLMNA
SCHEMBL3108619 0.79 MEN1 (0.79) RXFP1MEN1KMT2AMAPTLMNA
SCHEMBL3122487 0.79 RXFP1 (0.71) RXFP1MEN1KMT2AMAPTLMNA
SCHEMBL18070968 0.78 RXFP1 (0.64) RXFP1MEN1KMT2AMAPTLMNA
SCHEMBL427736 0.78 KDR (0.64) RXFP1MEN1KMT2AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1671700-A Substituted alkylamine derivatives and methods of use AMGEN INC (US) 2005-09-21 — — CN claimed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 — — US disclosed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 — — US disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 — — 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
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 — — US 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
CN-1671700-A Substituted alkylamine derivatives and methods of use AMGEN INC (US) 2005-09-21 — — CN 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 (1 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-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO RXFP1 1784/4885MEN1 1584/4885KMT2A 1046/4885

“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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