SCHEMBL2265436

SCHEMBL2265436

Cc1nc(Cl)c2ccc(C)c(I)c2n1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.34
OPRK1 P41145 1/20 0.34
CYP1A2 P05177 1/20 0.33
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
CCR8 P51685 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.31
TDP1 Q9NUW8 2/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL2263055 0.74 KDM4E (0.37) ALDH1A1KMT2ACCR1CCR5CCR8
SCHEMBL23520669 0.70 ALDH1A1 (0.37) ALDH1A1
SCHEMBL14842961 0.70 SSTR4 (0.39) ALDH1A1KMT2ACYP1A2TDP1MAPT
SCHEMBL10252220 0.67 TDP1 (0.35) TDP1
SCHEMBL13495768 0.67 RHEB (0.36) ALDH1A1L3MBTL1MAPT
SCHEMBL6026073 0.67 ALDH1A1 (0.49) ALDH1A1KMT2ACYP1A2TDP1MAPT
SCHEMBL3242174 0.67 PARP1 (0.47) ALDH1A1KMT2AOPRK1CYP1A2MAPT
SCHEMBL13081604 0.67 TYMS (0.40) ALDH1A1TDP1MAPTCYP3A4LMNA
SCHEMBL856788 0.66 TDP1 (0.54) ALDH1A1KMT2ACYP1A2TDP1MEN1
SCHEMBL29461212 0.66 TDP1 (0.54) ALDH1A1KMT2ACYP1A2TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440674-B2 Substituted pyrimidine compounds as RAF inhibitors and methods of use AMGEN INC. (US) 2013-05-14 US disclosed
US-8440674-B2 Substituted pyrimidine compounds as RAF inhibitors and methods of use AMGEN INC. (US) 2013-05-14 US disclosed
EP-1976836-B9 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC (US) 2013-02-06 EP disclosed
EP-1976836-B1 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC (US) 2012-08-22 EP disclosed
EP-2481729-A1 Nintrogen-containing bicyclic heteroaryl compounds for the treatment of RAF protein kinase-mediated diseases Amgen Inc. (US) 2012-08-01 EP disclosed
US-20110251199-A1 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-13 US disclosed
US-20110251199-A1 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-13 US disclosed
US-7989461-B2 Substituted quinazolinamine compounds for the treatment of cancer AMGEN INC. (US) 2011-08-02 US disclosed
US-7989461-B2 Substituted quinazolinamine compounds for the treatment of cancer AMGEN INC. (US) 2011-08-02 US disclosed
EP-1976836-A2 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES Amgen Inc. (US) 2008-10-08 EP disclosed
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use AMGEN INC. 2007-08-09 US disclosed
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use AMGEN INC. 2007-08-09 US disclosed
WO-2007076092-A2 NITROGEN- CONTAINING BICYCLIC HETROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC. (US) 2007-07-05 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-20110251199-A1 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS AND METHODS OF USE BRAF, RAF1, NRAS ALDH1A1 1985/4885KMT2A 1198/4885OPRK1 758/4885
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use BRAF, NRAS, RAF1 ALDH1A1 2020/4885KMT2A 1154/4885OPRK1 807/4885

“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.