SCHEMBL19169963

SCHEMBL19169963

Cc1nc(-c2ccc3ccccc3c2)c2c(n1)sc1ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.38
▸ AR P10275 2/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ HTR5A P47898 1/20 0.36
▸ ADK P55263 1/20 0.35
▸ CYP1A2 P05177 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ DHODH Q02127 1/20 0.34
▸ ADORA2A P29274 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
SCHEMBL19170015 0.85 GPR55 (0.39) ELANEGPR55ADKSMN1; SMN2ALDH1A1
SCHEMBL19170014 0.84 ELANE (0.41) ELANEGPR55ADKSMN1; SMN2ALDH1A1
SCHEMBL17297623 0.84 ADK (0.37) ELANEARHTR2BHTR5AADK
SCHEMBL19161629 0.83 ELANE (0.38) ELANEARHTR2BHTR5ACYP1A2
SCHEMBL18370734 0.80 ADORA2A (0.39) ELANECYP1A2SMN1; SMN2ALDH1A1HPGD
SCHEMBL18859614 0.80 HSD17B1 (0.39) ELANEARHTR2BHTR5ACYP1A2
SCHEMBL18859620 0.80 ESR1 (0.39) ELANEARHTR2BHTR5AADK
SCHEMBL17297482 0.79 ESR1 (0.36) ELANEARHTR2BHTR5AADK
SCHEMBL18370740 0.79 ADORA2A (0.36) ELANEHTR2BHTR5ACYP1A2SMN1; SMN2
SCHEMBL18370739 0.79 ADORA2A (0.36) ELANEHTR2BHTR5ACYP1A2SMN1; SMN2

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-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME LG CHEM, LTD. (KR) 2017-07-27 — — 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-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 ELANE 2532/4885GPR55 3466/4885AR 3056/4885

“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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