Sugi Predict

Sugi Predict / Compounds / SCHEMBL5757897

SCHEMBL5757897

SCHEMBL5757897

CSc1sc(C(C)=O)c(C2CCCCC2)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA4 P48058 2/20 0.40
▸ GRIA2 P42262 1/20 0.38
▸ ALDH1A1 P00352 10/20 0.38
▸ USP2 O75604 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ HPGD P15428 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9865512 0.73 GRIA4 (0.48) GRIA4GRIA2ALDH1A1HPGDMAPT
SCHEMBL9864594 0.72 GRIA4 (0.47) GRIA4GRIA2ALDH1A1USP2TSHR
SCHEMBL5758052 0.66 GRIA4 (0.64) GRIA4GRIA2ALDH1A1HPGDKMT2A
SCHEMBL3818516 0.63 GRIA4 (0.57) GRIA4GRIA2ALDH1A1USP2HPGD
SCHEMBL1551995 0.63 GRIA4 (0.57) GRIA4GRIA2ALDH1A1KMT2AFNTA
SCHEMBL6644214 0.63 GRIA4 (0.47) GRIA4GRIA2ALDH1A1USP2HPGD
SCHEMBL27698079 0.62 ALDH1A1 (0.46) ALDH1A1USP2HSD17B10HPGDMAPT
SCHEMBL1551473 0.62 GRIA4 (0.46) GRIA4GRIA2ALDH1A1KMT2AHTT
SCHEMBL10017671 0.62 GAA (0.48) GRIA4GRIA2ALDH1A1TSHRHSD17B10
SCHEMBL3403380 0.61 GRIA4 (0.45) GRIA4GRIA2ALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389206-B1 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2006-09-13 — — EP disclosed
US-7084159-B2 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-08-01 — — US disclosed
US-20040023963-A1 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases CAO JINGRONG (US) 2004-02-05 — — US disclosed
US-6642227-B2 Such as 2-methylsulfanyl-5-(2-phenylamino-pyrimidin-4-yl)-4-p-tolyl-thiophene-3 -carbonitrile; antiproliferative agents; stents VERTEX PHARMACEUTICALS INCORPORATED 2003-11-04 — — US disclosed
US-20030096816-A1 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2003-05-22 — — 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-20040023963-A1 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases LCK, MAPK1, MAP3K1 GRIA4 2812/4885GRIA2 2604/4885ALDH1A1 4198/4885
US-20030096816-A1 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases LCK, MAPK1, MAP3K1 GRIA4 2812/4885GRIA2 2604/4885ALDH1A1 4198/4885

“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.