SCHEMBL2221117

SCHEMBL2221117

Cn1cc(-n2ccc(=O)c(Cc3cccc(-n4cccn4)c3)n2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
HCRTR1 O43613 4/20 0.39
HCRTR2 O43614 4/20 0.39
MPO P05164 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
USP1 O94782 2/20 0.37
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2B P41595 1/20 0.36
POLB P06746 1/20 0.36
ERCC1 P07992 1/20 0.36
ERCC4 Q92889 1/20 0.36
CREBBP Q92793 1/20 0.36

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
SCHEMBL13465630 0.85 FYN (0.45) LMNAMEN1KMT2APOLBKDM4E
SCHEMBL173258 0.84 PARP1 (0.38) LMNAMEN1KMT2AKDM4E
SCHEMBL2274025 0.84 ENPP2 (0.34) LMNAMEN1KMT2ACREBBPKDM4E
SCHEMBL2223676 0.84 ENPP2 (0.42) LMNAPOLBKDM4E
SCHEMBL2222113 0.82 PARP1 (0.49) MEN1KMT2AHTR1AHTR1DHTR1B
SCHEMBL2364245 0.81 CCNC (0.42) MEN1KMT2AHTR1ADRD2HTR1D
SCHEMBL2223595 0.81 CREBBP (0.43) CREBBP
SCHEMBL13275216 0.81 CREBBP (0.38) MPOKMT2ACREBBP
SCHEMBL13275592 0.80 CYP19A1 (0.42) POLBKDM4E
SCHEMBL2222179 0.80 MET (0.40) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US claimed
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 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 (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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 LMNA 4501/4885HCRTR1 4621/4885HCRTR2 4652/4885

“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.