Sugi Predict

Sugi Predict / Compounds / SCHEMBL3709652

SCHEMBL3709652

SCHEMBL3709652

Cc1csc(-c2sccc2N)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PDE10A Q9Y233 1/20 0.42
▸ ADORA2A P29274 6/20 0.42
▸ ADORA1 P30542 4/20 0.42
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2E1 P05181 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2B6 P20813 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ NPC1 O15118 2/20 0.36
▸ POLB P06746 2/20 0.36

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
SCHEMBL1181150 0.81 PDE10A (0.44) NOS1SMN1; SMN2PDE10AADORA2AADORA1
SCHEMBL829862 0.73 PDE10A (0.53) NOS1SMN1; SMN2PDE10AADORA2AADORA1
SCHEMBL18157874 0.72 SMN1; SMN2 (0.55) NOS1SMN1; SMN2PDE10AADORA2AADORA1
SCHEMBL3711601 0.71 ALDH1A1 (0.41) SMN1; SMN2PDE10AADORA2AADORA1CYP3A4
SCHEMBL996759 0.70 SMN1; SMN2 (0.45) NOS1SMN1; SMN2PDE10ACYP3A4CYP2E1
SCHEMBL3715393 0.70 CES1 (0.39) NOS1SMN1; SMN2CYP3A4CYP2A6MEN1
SCHEMBL13680611 0.69 CYP3A4 (0.51) NOS1SMN1; SMN2PDE10ACYP3A4CYP2E1
SCHEMBL3714018 0.69 NOS1 (0.44) NOS1ADORA2AADORA1CYP3A4CYP2E1
SCHEMBL17194958 0.69 CYP3A4 (0.45) NOS1SMN1; SMN2PDE10AADORA2AADORA1
SCHEMBL1822397 0.69 SMN1; SMN2 (0.44) NOS1SMN1; SMN2PDE10AADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220081427-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2022-03-17 — — US disclosed
US-20200277285-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2020-09-03 — — US disclosed
US-20200039972-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2020-02-06 — — US disclosed
US-20190194176-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2019-06-27 — — US disclosed
US-20180319780-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2018-11-08 — — US disclosed
US-20180037577-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2018-02-08 — — US disclosed
EP-2393806-B1 INHIBITORS OF JUN N-TERMINAL KINASE ELAN PHARM INC (US) 2017-10-25 — — EP disclosed
US-9796706-B2 Inhibitors of Jun N-terminal kinase IMAGO PHARMACEUTICALS, INC. (US) 2017-10-24 — — US disclosed
US-20170107209-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2017-04-20 — — US disclosed
US-20150259330-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2015-09-17 — — US disclosed
US-9073891-B2 Inhibitors of Jun N-terminal kinase IMAGO PHARMACEUTICALS, INC. (US) 2015-07-07 — — US disclosed
US-8450363-B2 Inhibitors of Jun N-terminal kinase ELAN PHARMACEUTICALS, INC. (US) 2013-05-28 — — US disclosed
US-20130072494-A1 INHIBITORS OF JUN N-TERMINAL KINASE ELAN PHARMACEUTICALS, INC. 2013-03-21 — — US disclosed
CN-102365277-A Inhibitors of jun n-terminal kinase ELAN PHARM INC 2012-02-29 — — CN disclosed
EP-2393806-A1 INHIBITORS OF JUN N-TERMINAL KINASE Elan Pharmaceuticals Inc. (US) 2011-12-14 — — EP disclosed
US-20100331335-A1 Inhibitors of Jun N-Terminal Kinase ELAN PHARMACETICALS, INC. 2010-12-30 — — US disclosed
WO-2010091310-A1 INHIBITORS OF JUN N-TERMINAL KINASE ELAN PHARMACEUTICALS, INC. (US) 2010-08-12 — — 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 (10 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-20200039972-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 NOS1 1467/4885SMN1; SMN2 2311/4885PDE10A 1967/4885
US-20190194176-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 NOS1 1467/4885SMN1; SMN2 2311/4885PDE10A 1967/4885
US-20150259330-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 NOS1 1467/4885SMN1; SMN2 2311/4885PDE10A 1967/4885
US-20170107209-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 NOS1 1467/4885SMN1; SMN2 2311/4885PDE10A 1967/4885
US-20180037577-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 NOS1 1467/4885SMN1; SMN2 2311/4885PDE10A 1967/4885
US-20130072494-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 NOS1 1467/4885SMN1; SMN2 2311/4885PDE10A 1967/4885
US-20220081427-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 NOS1 1467/4885SMN1; SMN2 2311/4885PDE10A 1967/4885
US-20200277285-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 NOS1 1467/4885SMN1; SMN2 2311/4885PDE10A 1967/4885
US-20180319780-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 NOS1 1467/4885SMN1; SMN2 2311/4885PDE10A 1967/4885
US-20100331335-A1 Inhibitors of Jun N-Terminal Kinase CHUK, MAPK6, MAPK3 NOS1 1467/4885SMN1; SMN2 2311/4885PDE10A 1967/4885

“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.