SCHEMBL1611068

SCHEMBL1611068

Cc1ccc2c(c1)c1ncccc1n2-c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
METAP2 P50579 3/20 0.46
MAP2K4 P45985 1/20 0.41
CYP2A6 P11509 3/20 0.40
CYP2E1 P05181 2/20 0.40
MDM2 Q00987 1/20 0.40
CYP3A4 P08684 1/20 0.40
MEN1 O00255 1/20 0.39
NR1I2 O75469 1/20 0.39
AHR P35869 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX12 P18054 1/20 0.39
PIK3CD O00329 1/20 0.38
CYP11B2 P19099 1/20 0.37
MAT2A P31153 2/20 0.37
HRH1 P35367 1/20 0.37
HTR6 P50406 1/20 0.37
MAPK14 Q16539 1/20 0.37
NPC1 O15118 1/20 0.37
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL1609866 0.87 KDM4E (0.44) MEN1NR1I2AHRKMT2ANPC1
SCHEMBL16625787 0.87 MEN1 (0.41) MEN1NR1I2AHRKMT2ANPC1
SCHEMBL5944436 0.85 MEN1 (0.35) CYP1A2METAP2MAP2K4CYP2A6CYP3A4
SCHEMBL21008747 0.85 CYP1A2 (0.42) CYP1A2METAP2CYP2A6CYP2E1MDM2
SCHEMBL1612142 0.85 CYP1A2 (0.49) CYP1A2METAP2MAP2K4CYP2A6CYP2E1
SCHEMBL16625781 0.84 CYP1A2 (0.46) CYP1A2METAP2CYP2A6CYP2E1MDM2
SCHEMBL21009613 0.84 CYP1A2 (0.46) CYP1A2METAP2CYP2A6CYP2E1CYP3A4
SCHEMBL17264911 0.84 CYP1A2 (0.46) CYP1A2METAP2CYP2A6CYP2E1MDM2
SCHEMBL21008788 0.84 CYP1A2 (0.39) CYP1A2METAP2MAP2K4CYP2A6CYP2E1
SCHEMBL21009049 0.84 CYP1A2 (0.39) CYP1A2METAP2MAP2K4CYP2A6CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090819-B2 Organic electroluminescent element, display device, illuminating device and condensed polycyclic heterocyclic compound Konica Minolta, Inc. (JP) 2015-07-28 US disclosed
US-9090819-B2 Organic electroluminescent element, display device, illuminating device and condensed polycyclic heterocyclic compound Konica Minolta, Inc. (JP) 2015-07-28 US disclosed
US-20120085997-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, ILLUMINATING DEVICE AND CONDENSED POLYCYCLIC HETEROCYCLIC COMPOUND KONICA MINOLTA HOLDINGS, INC. (JP) 2012-04-12 US disclosed
US-20120085997-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, ILLUMINATING DEVICE AND CONDENSED POLYCYCLIC HETEROCYCLIC COMPOUND KONICA MINOLTA HOLDINGS, INC. (JP) 2012-04-12 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 (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-20120085997-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, ILLUMINATING DEVICE AND CONDENSED POLYCYCLIC HETEROCYCLIC COMPOUND CCNE2, C1S, SCO2 CYP1A2 643/4885METAP2 2887/4885MAP2K4 2760/4885

“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.