SCHEMBL19051735

SCHEMBL19051735

CCc1ccc2c(c1)nc(C)c1c3ccccc3c3ccccc3c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ GPR3 P46089 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ ELANE P08246 2/20 0.40
▸ KCNH2 Q12809 3/20 0.39
▸ HRH4 Q9H3N8 3/20 0.39
▸ HRH3 Q9Y5N1 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ RAD52 P43351 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ RECQL P46063 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL21537700 0.77 GPR3 (0.65) CYP1A2GPR3ELANEKCNH2SMN1; SMN2
SCHEMBL10706672 0.71 KIF11 (0.59) KIF11CYP1A2CYP2A6SMN1; SMN2LMNA
SCHEMBL28107456 0.71 MAOA (0.60) KIF11CYP1A2CYP2A6ELANEKCNH2
SCHEMBL19992509 0.70 SMN1; SMN2 (0.46) CYP1A2CYP2A6ELANESMN1; SMN2HPGD
SCHEMBL18748051 0.70 KDM4E (0.36) KIF11CYP1A2GPR3CYP2A6ELANE
SCHEMBL18748054 0.69 CYP1A2 (0.39) KIF11CYP1A2CYP2A6ELANESMN1; SMN2
SCHEMBL18748059 0.68 CYP3A4 (0.39) CYP1A2CYP2A6ELANESMN1; SMN2LMNA
SCHEMBL7773085 0.67 CYP1A2 (0.67) KIF11CYP1A2CYP2A6HPGDALDH1A1
SCHEMBL14072496 0.67 KCNH2 (0.56) KCNH2HRH4HRH3
SCHEMBL1070847 0.66 KIF11 (0.53) KIF11CYP1A2CYP2A6SMN1; SMN2HPGD

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-20170186979-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-29 — — 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-20170186979-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, LEF1, CRY2 KIF11 2742/4885CYP1A2 49/4885GPR3 2510/4885

“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.

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