SCHEMBL17147697

SCHEMBL17147697

Cc1ccccc1CN1C2=NCCN2C(=O)c2cnccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ TSHR P16473 3/20 0.51
▸ CYP2D6 P10635 1/20 0.49
▸ DRD2 P14416 1/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ CLPP Q16740 1/20 0.49
▸ GPR132 Q9UNW8 1/20 0.49
▸ GAA P10253 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ P2RX7 Q99572 1/20 0.40
▸ FABP6 P51161 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ PTGS1 P23219 1/20 0.39

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
SCHEMBL22064552 0.87 CYP3A4 (0.43) CYP3A4SMN1; SMN2HIF1ATSHRCYP2D6
SCHEMBL11849441 0.82 TSHR (0.58) CYP3A4SMN1; SMN2HIF1ATSHRCYP2D6
SCHEMBL11802291 0.79 CYP3A4 (0.53) CYP3A4SMN1; SMN2HIF1ATSHRCYP2D6
SCHEMBL11849241 0.74 TSHR (0.72) CYP3A4SMN1; SMN2HIF1ATSHRCYP2D6
Hydrochloric Acid SCHEMBL11852627 0.73 TSHR (0.64) CYP3A4SMN1; SMN2HIF1ATSHRCLPP
SCHEMBL2493279 0.70 TSHR (0.83) CYP3A4SMN1; SMN2HIF1ATSHRGAA
SCHEMBL17147698 0.70 CYP3A4 (0.66) CYP3A4SMN1; SMN2HIF1ATSHRCYP2D6
SCHEMBL2494160 0.70 TSHR (0.67) CYP3A4SMN1; SMN2TSHRCYP2D6GAA
SCHEMBL18254991 0.69 CLPP (0.89) CYP3A4SMN1; SMN2HIF1ACYP2D6DRD2
SCHEMBL13559495 0.69 CYP3A4 (1.00) CYP3A4SMN1; SMN2HIF1ATSHRCYP2D6

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630550-B2 Pharmacophore for trail induction THE SCRIPPS RESEARCH INSTITUTE (US) 2026-05-19 — — US disclosed
EP-4470617-A2 PHARMACOPHORE FOR TRAIL INDUCTION The Scripps Research Institute (US) 2024-12-04 — — EP disclosed
EP-3662910-B1 PHARMACOPHORE FOR TRAIL INDUCTION SCRIPPS RESEARCH INST (US) 2024-09-18 — — EP disclosed
US-20240190877-A1 PHARMACOPHORE FOR TRAIL INDUCTION THE SCRIPPS RESEARCH INSTITUTE 2024-06-13 — — US disclosed
US-11891392-B2 Pharmacophore for trail induction THE SCRIPPS RESEARCH INSTITUTE (US) 2024-02-06 — — US disclosed
CN-111499636-B Pharmacophores for TRAIL induction 斯克里普斯研究学院(US) 2023-01-13 — — CN disclosed
US-20220002300-A1 PHARMACOPHORE FOR TRAIL INDUCTION THE SCRIPPS RESEARCH INSTITUTE 2022-01-06 — — US disclosed
US-20220002300-A1 PHARMACOPHORE FOR TRAIL INDUCTION THE SCRIPPS RESEARCH INSTITUTE 2022-01-06 — — US disclosed
US-20200283440-A1 PHARMACOPHORE FOR TRAIL INDUCTION THE SCRIPPS RESEARCH INSTITUTE (US) 2020-09-10 — — US disclosed
US-20200283440-A1 PHARMACOPHORE FOR TRAIL INDUCTION THE SCRIPPS RESEARCH INSTITUTE (US) 2020-09-10 — — US disclosed
US-10633385-B2 Pharmacophore for trail induction THE SCRIPPS RESEARCH INSTITUTE (US) 2020-04-28 — — US disclosed
CN-106456643-B Pharmacophores for TRAIL induction 斯克里普斯研究学院 2020-04-17 — — CN disclosed
US-20190284188-A1 PHARMACOPHORE FOR TRAIL INDUCTION THE SCRIPPS RESEARCH INSTITUTE 2019-09-19 — — US disclosed
US-20190284188-A1 PHARMACOPHORE FOR TRAIL INDUCTION THE SCRIPPS RESEARCH INSTITUTE 2019-09-19 — — US disclosed
US-10239877-B2 Pharmacophore for trail induction THE SCRIPPS RESEARCH INSTITUTE (US) 2019-03-26 — — US disclosed
US-10239877-B2 Pharmacophore for trail induction THE SCRIPPS RESEARCH INSTITUTE (US) 2019-03-26 — — US disclosed
US-20170107221-A1 PHARMACOPHORE FOR TRAIL INDUCTION THE SCRIPPS RESEARCH INSTITUTE 2017-04-20 — — US disclosed
US-20170107221-A1 PHARMACOPHORE FOR TRAIL INDUCTION THE SCRIPPS RESEARCH INSTITUTE 2017-04-20 — — US disclosed
US-20170107221-A1 PHARMACOPHORE FOR TRAIL INDUCTION THE SCRIPPS RESEARCH INSTITUTE 2017-04-20 — — US disclosed
WO-2015153468-A1 PHARMACOPHORE FOR TRAIL INDUCTION THE SCRIPPS RESEARCH INSTITUTE (US) 2015-10-08 — — WO 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 (9 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-12630550-B2 Pharmacophore for trail induction STAT3, STAT1, STAT4 CYP3A4 218/4885SMN1; SMN2 3993/4885HIF1A 3416/4885
US-20190284188-A1 PHARMACOPHORE FOR TRAIL INDUCTION AIFM1, TNFRSF1A, TNFSF10 CYP3A4 205/4885SMN1; SMN2 3880/4885HIF1A 2194/4885
US-20220002300-A1 PHARMACOPHORE FOR TRAIL INDUCTION AIFM1, TNFRSF1A, TNFSF10 CYP3A4 205/4885SMN1; SMN2 3880/4885HIF1A 2194/4885
US-10633385-B2 Pharmacophore for trail induction AIFM1, TNFRSF1A, TNFSF10 CYP3A4 205/4885SMN1; SMN2 3880/4885HIF1A 2194/4885
US-20170107221-A1 PHARMACOPHORE FOR TRAIL INDUCTION TNFRSF1A, TNFSF11, TNFRSF9 CYP3A4 171/4885SMN1; SMN2 4272/4885HIF1A 2241/4885
US-10239877-B2 Pharmacophore for trail induction TNFRSF1A, TNFSF11, TNFRSF9 CYP3A4 171/4885SMN1; SMN2 4272/4885HIF1A 2241/4885
US-11891392-B2 Pharmacophore for trail induction AIFM1, TNFRSF1A, TNFSF10 CYP3A4 205/4885SMN1; SMN2 3880/4885HIF1A 2194/4885
US-20240190877-A1 PHARMACOPHORE FOR TRAIL INDUCTION AIFM1, TNFRSF1A, TNFSF10 CYP3A4 205/4885SMN1; SMN2 3880/4885HIF1A 2194/4885
US-20200283440-A1 PHARMACOPHORE FOR TRAIL INDUCTION AIFM1, TNFRSF1A, TNFSF10 CYP3A4 205/4885SMN1; SMN2 3880/4885HIF1A 2194/4885

“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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