SCHEMBL19169669

SCHEMBL19169669

CC(C)c1nc(-n2c3ccccc3c3c4ccccc4ccc32)c2sc3ccccc3c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ HTR2C P28335 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.32
▸ RXFP1 Q9HBX9 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ EGFR P00533 2/20 0.32
▸ TNKS O95271 2/20 0.32
▸ TNKS2 Q9H2K2 2/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ RAB9A P51151 2/20 0.31
▸ LIMK1 P53667 1/20 0.30
▸ CDK5 Q00535 1/20 0.30

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
SCHEMBL19169424 0.90 HRH4 (0.43) HRH4MEN1KMT2ANPSR1MAPT
SCHEMBL19161195 0.83 HRH4 (0.37) HRH4MEN1KMT2ANPSR1MAPT
SCHEMBL22211877 0.79 PIK3CA (0.36) HRH4HTR2CPIK3CA
SCHEMBL22652159 0.78 HRH4 (0.34) HRH4HTR2CPIK3CA
SCHEMBL19169920 0.77 MAPT (0.39) HRH4MEN1KMT2ANPSR1MAPT
SCHEMBL21031413 0.76 NPC1 (0.34) HRH4MEN1KMT2ANPSR1MAPT
SCHEMBL20670230 0.76 KDM4E (0.34) HRH4HTR2CKDM4ETNKSTNKS2
SCHEMBL19161853 0.76 HRH4 (0.33) HRH4HTR2CPIK3CA
SCHEMBL19162446 0.76 HRH4 (0.33) HRH4HTR2CPIK3CA
SCHEMBL19162142 0.76 HRH4 (0.33) HRH4HTR2CPIK3CA

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-10347845-B2 Nitrogen-containing condensed cyclic compound and organic light emitting device using same LG CHEM, LTD. (KR) 2019-07-09 — — US disclosed
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 (2 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-10347845-B2 Nitrogen-containing condensed cyclic compound and organic light emitting device using same CRY1, NOS1, NOLC1 HRH4 1225/4885MEN1 197/4885KMT2A 1423/4885
US-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 HRH4 1225/4885MEN1 197/4885KMT2A 1423/4885

“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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