SCHEMBL20330306

SCHEMBL20330306

CC(C)(C)c1cncc(-c2ccccc2Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ KMT2A Q03164 5/20 0.37
▸ POLB P06746 1/20 0.37
▸ CNR2 P34972 1/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ HSD11B1 P28845 2/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ USP2 O75604 1/20 0.35

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
SCHEMBL20330307 0.80 NPC1 (0.44) IDO1L3MBTL1NPC1RAB9APIM1
SCHEMBL17032674 0.79 CNR2 (0.47) IDO1HSP90AA1HSP90AB1KMT2ACNR2
SCHEMBL18573250 0.77 IDO1 (0.46) IDO1HSP90AA1HSP90AB1KMT2APOLB
SCHEMBL13597321 0.75 CYP11B2 (0.44) KMT2AL3MBTL1MEN1NPC1RAB9A
SCHEMBL3362503 0.74 HSP90AA1 (0.50) IDO1HSP90AA1HSP90AB1L3MBTL1NPC1
SCHEMBL18574185 0.73 L3MBTL1 (0.43) IDO1HSP90AA1HSP90AB1KMT2APOLB
SCHEMBL19625360 0.72 SCN10A (0.46) L3MBTL1NPC1RAB9ACYP19A1SMN1; SMN2
SCHEMBL25054657 0.71 GPR3 (0.33) KMT2APOLBL3MBTL1MEN1NPC1
SCHEMBL17031808 0.70 MEN1 (0.43) HSP90AA1HSP90AB1KMT2ACNR2MEN1
SCHEMBL824020 0.69 HSD17B10 (0.32) —

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200262818-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2020-08-20 — — US disclosed
US-10662175-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-05-26 — — US disclosed
US-20180186782-A1 AMIDE COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-07-05 — — US disclosed
US-20180179186-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-06-28 — — 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 (4 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-20180186782-A1 AMIDE COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH IDO1 460/4885HSP90AA1 2677/4885HSP90AB1 2297/4885
US-20180179186-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH IDO1 241/4885HSP90AA1 3827/4885HSP90AB1 3322/4885
US-20200262818-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH IDO1 241/4885HSP90AA1 3827/4885HSP90AB1 3322/4885
US-10662175-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of immune and inflammatory disorders CFD, TFPI, CFH IDO1 241/4885HSP90AA1 3827/4885HSP90AB1 3322/4885

“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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