SCHEMBL2993640

SCHEMBL2993640

O=C(Nc1cccc(Nc2nccc(C(F)(F)F)n2)c1)c1ccc(CN2CCCCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 13/20 0.59
ABL1 P00519 1/20 0.59
PDGFRB P09619 1/20 0.59
BCR P11274 1/20 0.59
SRC P12931 1/20 0.59
PDGFRA P16234 1/20 0.59
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
BRAF P15056 1/20 0.50
HIF1A Q16665 2/20 0.49
EPAS1 Q99814 2/20 0.49
BTK Q06187 1/20 0.48
ACKR3 P25106 1/20 0.48

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
SCHEMBL13241246 0.87 ABL1 (0.66) SYKABL1PDGFRBBCRSRC
SCHEMBL2991040 0.86 ABL1 (0.66) SYKABL1PDGFRBBCRSRC
SCHEMBL2994662 0.84 ABL1 (0.54) SYKABL1PDGFRBBCRSRC
SCHEMBL2992321 0.84 ABL1 (0.73) SYKABL1PDGFRBBCRSRC
SCHEMBL3858318 0.82 ABL1 (0.84) SYKABL1PDGFRBBCRSRC
SCHEMBL16802310 0.82 ABL1 (0.68) SYKABL1PDGFRBBCRSRC
SCHEMBL14949947 0.82 ABL1 (0.61) SYKABL1PDGFRBBCRSRC
SCHEMBL2990662 0.82 ABL1 (0.70) SYKABL1PDGFRBBCRSRC
SCHEMBL2983673 0.81 ABL1 (0.60) SYKABL1PDGFRBBCRSRC
SCHEMBL2988415 0.80 ABL1 (0.67) SYKABL1PDGFRBBCRSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150259329-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF INTRA CELLULAR THERAPIES INC (US) 2015-09-17 US disclosed
US-9056837-B2 Heterocycle compounds and uses thereof INTRA-CELLULAR THERAPIES, INC. (US) 2015-06-16 US disclosed
US-20130123269-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF INTRA-CELLULAR THERAPIES, INC. (US) 2013-05-16 US disclosed
US-8367686-B2 Heterocycle compounds and uses thereof INTRA-CELLULAR THERAPIES, INC. (US) 2013-02-05 US disclosed
US-20100173924-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF INTRA-CELLULAR THERAPIES INC. 2010-07-08 US disclosed
EP-2166858-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF Intra-Cellular Therapies, Inc. (US) 2010-03-31 EP disclosed
WO-2008153959-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF INTRA-CELLULAR THERAPIES, INC. (US) 2008-12-18 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 (3 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-20150259329-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF PYGB, BACE1, APP SYK 688/4885ABL1 481/4885PDGFRB 914/4885
US-20100173924-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF PYGB, BACE1, APP SYK 627/4885ABL1 456/4885PDGFRB 935/4885
US-20130123269-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF PYGB, BACE1, APP SYK 688/4885ABL1 481/4885PDGFRB 914/4885

“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.