SCHEMBL714572

SCHEMBL714572

[c]1ccccc1-c1nnc(-c2ccccn2)n1-c1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 3/20 0.43
TSHR P16473 3/20 0.43
NPC1 O15118 2/20 0.43
HSD17B10 Q99714 5/20 0.40
ALOX15 P16050 2/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 3/20 0.39
ATM Q13315 1/20 0.37
APLNR P35414 1/20 0.37
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
METAP1 P53582 1/20 0.34
BLM P54132 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL713512 0.92 SMN1; SMN2 (0.45) SMN1; SMN2TP53TSHRNPC1HSD17B10
SCHEMBL28079997 0.83 HSD17B10 (0.52) SMN1; SMN2TP53TSHRNPC1HSD17B10
SCHEMBL714573 0.82 SMN1; SMN2 (0.44) SMN1; SMN2TP53TSHRNPC1HSD17B10
SCHEMBL18069679 0.78 HSD17B10 (0.52) SMN1; SMN2TP53TSHRNPC1HSD17B10
SCHEMBL2744404 0.77 DCTPP1 (0.50) SMN1; SMN2TP53TSHRNPC1HSD17B10
SCHEMBL28475386 0.74 CYP2A6 (0.55) SMN1; SMN2TP53TSHRNPC1HSD17B10
SCHEMBL2744938 0.74 HSD17B10 (0.41) SMN1; SMN2TP53TSHRNPC1HSD17B10
SCHEMBL713513 0.73 SMN1; SMN2 (0.47) SMN1; SMN2TP53TSHRNPC1HSD17B10
SCHEMBL712091 0.73 ALDH1A1 (0.55) SMN1; SMN2TSHRHSD17B10MAPK1KDM4E
SCHEMBL37815 0.72 KDM4E (0.54) SMN1; SMN2TP53TSHRNPC1HSD17B10

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 SMN1; SMN2 4102/4885TP53 4467/4885TSHR 1971/4885

“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.