SCHEMBL15071097

SCHEMBL15071097

Nc1c(-c2ccccc2)nc2ccc(C(=O)N3CCCCC3)cn12

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 8/20 0.55
▸ MAPK1 P28482 1/20 0.51
▸ F2RL1 P55085 1/20 0.51
▸ AKT1 P31749 8/20 0.48
▸ AKT2 P31751 8/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ CNR1 P21554 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.44

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
SCHEMBL15071103 0.86 F2RL1 (0.56) HPGDMAPK1F2RL1AKT1AKT2
SCHEMBL15071099 0.80 F2RL1 (0.52) HPGDF2RL1NPC1TSHRRAB9A
SCHEMBL15071100 0.79 F2RL1 (0.77) HPGDMAPK1F2RL1AKT1AKT2
SCHEMBL15071143 0.77 F2RL1 (0.74) HPGDMAPK1F2RL1AKT1AKT2
SCHEMBL5322233 0.75 CNR1 (0.58) HPGDF2RL1AKT1AKT2CNR1
SCHEMBL5337926 0.75 CNR1 (0.58) HPGDF2RL1AKT1AKT2CNR1
SCHEMBL15071138 0.72 F2RL1 (0.62) HPGDMAPK1F2RL1AKT1AKT2
SCHEMBL3454812 0.71 HPGD (0.96) HPGDMAPK1NPC1TSHRRAB9A
SCHEMBL3456729 0.71 HPGD (0.96) HPGDMAPK1NPC1TSHRRAB9A
SCHEMBL22768015 0.71 CYP1A2 (0.56) HPGDMAPK1NPC1RAB9ACNR1

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-20130165652-A1 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME NEOPHARM CO.,LTD. (KR) 2013-06-27 — — US disclosed
US-20130165652-A1 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME NEOPHARM CO.,LTD. (KR) 2013-06-27 — — 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-20130165652-A1 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME F2RL1, F2R, FPR2 HPGD 80/4885MAPK1 1566/4885F2RL1 1/4885

“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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