SCHEMBL20226279

SCHEMBL20226279

CC1N=C(c2cccc(-c3ccc(-c4ccccc4)cc3)c2)NC(c2ccccc2)N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.39
▸ NISCH Q9Y2I1 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ GP6 Q9HCN6 1/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ CREBBP Q92793 1/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ USP30 Q70CQ3 1/20 0.31
▸ NPC1 O15118 1/20 0.31

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
SCHEMBL20226293 0.99 P2RX7 (0.40) P2RX7NISCHALDH1A1CYP1A2CYP3A4
SCHEMBL20226320 0.91 P2RX7 (0.46) P2RX7NISCHALDH1A1CYP1A2CYP3A4
SCHEMBL20226288 0.91 P2RX7 (0.46) P2RX7NISCHALDH1A1CYP1A2CYP3A4
SCHEMBL17726028 0.83 P2RX7 (0.39) P2RX7NISCHALDH1A1CYP1A2CYP3A4
SCHEMBL18561425 0.80 P2RX7 (0.39) P2RX7NISCHALDH1A1CYP1A2CYP3A4
SCHEMBL18561432 0.79 P2RX7 (0.38) P2RX7NISCHALDH1A1CYP1A2CYP3A4
SCHEMBL19007621 0.78 P2RX7 (0.43) P2RX7NISCHALDH1A1CYP1A2CYP3A4
SCHEMBL17851200 0.78 P2RX7 (0.40) P2RX7NISCHALDH1A1CYP1A2CYP3A4
SCHEMBL18561038 0.78 P2RX7 (0.40) P2RX7NISCHALDH1A1CYP1A2CYP3A4
SCHEMBL18562408 0.77 P2RX7 (0.39) P2RX7NISCHALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180155325-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-06-07 — — 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-20180155325-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE OXER1, OCIAD1, OR10J3 P2RX7 729/4885NISCH 140/4885ALDH1A1 60/4885

“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.

Send feedback