SCHEMBL20426237

SCHEMBL20426237

c1ccc(-n2c3ccccc3c3c4c(ccc32)ccn4-c2cc(-c3cccnc3)nc(-c3ccccn3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.39
▸ CYP19A1 P11511 1/20 0.37
▸ MAPT P10636 3/20 0.37
▸ GRM5 P41594 2/20 0.35
▸ PIM1 P11309 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ TSHR P16473 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ CYP2C19 P33261 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL16357543 0.86 CYP19A1 (0.39) CYP19A1MAPTPDE10ACYP2C19CYP2C9
SCHEMBL20426233 0.85 MAPT (0.36) CYP19A1MAPTALDH1A1G6PD
SCHEMBL20426254 0.84 L3MBTL1 (0.35) MAPTTP53RAB9ASMN1; SMN2CYP2C19
SCHEMBL20426224 0.82 MAPT (0.37) CYP2A6CYP19A1MAPTNPC1RAB9A
SCHEMBL16357501 0.82 CYP19A1 (0.38) CYP19A1MAPTPDE10ACYP2C19CYP2C9
SCHEMBL20426249 0.82 CYP3A4 (0.36) CYP2A6MAPTTSHRNPC1TP53
SCHEMBL20426141 0.81 CYP19A1 (0.43) CYP19A1MAPTPDE10ACYP2C19CYP2C9
SCHEMBL16357470 0.81 MAPT (0.36) CYP19A1MAPTALDH1A1
SCHEMBL16357432 0.81 MAPT (0.39) MAPTTSHRRAB9ASMN1; SMN2CYP2C19
SCHEMBL20426228 0.81 MAPT (0.39) MAPTTSHRRAB9ASMN1; SMN2CYP2C19

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-10038146-B2 Organic light-emitting compound and organic electroluminescent device using same DOOSAN CORPORATION (KR) 2018-07-31 — — US disclosed
US-10038146-B2 Organic light-emitting compound and organic electroluminescent device using same DOOSAN CORPORATION (KR) 2018-07-31 — — 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-10038146-B2 Organic light-emitting compound and organic electroluminescent device using same IDO1, IDO2, KYNU CYP2A6 2126/4885CYP19A1 870/4885MAPT 459/4885

“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