SCHEMBL713751

SCHEMBL713751

[c]1ccccc1-n1nc(-c2ccccc2)cc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.45
USP8 P40818 1/20 0.43
CYP2C9 P11712 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
MCL1 Q07820 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 2/20 0.38
RPA1 P27694 1/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 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
SCHEMBL1198398 0.77 RAB9A (0.65) USP8CYP2C9ALDH1A1MAPTKDM4E
SCHEMBL713752 0.77 USP8 (0.52) EGFRUSP8CYP2C9ALDH1A1MAPT
SCHEMBL713119 0.76 NPC1 (0.51) USP8CYP2C9ALDH1A1MAPTKDM4E
SCHEMBL28310566 0.76 SOAT2 (0.43) ALDH1A1MAPTKDM4EHPGDMAPK1
SCHEMBL713120 0.75 RAB9A (0.54) EGFRUSP8CYP2C9ALDH1A1MAPT
SCHEMBL3852411 0.75 RAB9A (0.62) USP8CYP2C9ALDH1A1MAPTKDM4E
SCHEMBL3857283 0.74 RAB9A (0.61) USP8CYP2C9ALDH1A1MAPTKDM4E
SCHEMBL10038494 0.74 CYP2C9 (0.62) EGFRUSP8CYP2C9ALDH1A1MAPT
SCHEMBL16432877 0.74 CYP2C9 (0.62) EGFRUSP8CYP2C9ALDH1A1MAPT
SCHEMBL11910198 0.74 RAB9A (0.56) EGFRUSP8CYP2C9ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8771843-B2 Fluorene derivative, organic compound, and light-emitting element, light-emitting device, and electronic device using the compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-07-08 US disclosed
US-20120049768-A1 Fluorene Derivative, Organic Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-03-01 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-20120049768-A1 Fluorene Derivative, Organic Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Compound AFF2, MAPRE2, AFF4 EGFR 2814/4885USP8 4081/4885CYP2C9 787/4885

“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.