Sugi Predict

Sugi Predict / Compounds / SCHEMBL1854776

SCHEMBL1854776

SCHEMBL1854776

Cc1[c]nnc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 2/20 0.48
▸ CYP1A2 P05177 5/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ ALDH1A1 P00352 6/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NUDT1 P36639 1/20 0.35
▸ BACE1 P56817 1/20 0.34
▸ NCF1 P14598 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ CYP2A6 P11509 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TDP2 O95551 1/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ BLM P54132 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
SCHEMBL6402551 0.74 GPR3 (0.48) GPR3CYP1A2CYP2C19ALDH1A1HSD17B10
SCHEMBL5392739 0.71 LMNA (0.46) GPR3ALDH1A1HSD17B10LMNAHTT
SCHEMBL2962100 0.69 PARP1 (0.41) GPR3CYP1A2ALDH1A1HSD17B10LMNA
Benzonaphthyridine SCHEMBL51197 0.67 GPR3 (1.00) GPR3CYP1A2CYP2C19ALDH1A1HSD17B10
Benzonaphthyridine SCHEMBL30897319 0.67 GPR3 (1.00) GPR3CYP1A2CYP2C19ALDH1A1HSD17B10
Benzonaphthyridine SCHEMBL29600756 0.67 GPR3 (1.00) GPR3CYP1A2CYP2C19ALDH1A1HSD17B10
SCHEMBL5073238 0.66 GPR3 (0.39) GPR3LMNAHTT
SCHEMBL21530536 0.65 GPR3 (0.48) GPR3CYP1A2ALDH1A1HSD17B10LMNA
SCHEMBL1986163 0.65 GPR3 (0.39) GPR3CYP1A2ALDH1A1HSD17B10LMNA
SCHEMBL639857 0.65 CYP2A6 (0.38) GPR3CYP1A2CYP2C19ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242116-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2012-08-14 — — US disclosed
EP-2035436-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-05-25 — — EP disclosed
US-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-06-03 — — US disclosed
WO-2009122148-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS PI3K KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-10-08 — — WO disclosed
WO-2009071890-A1 TRICYCLIC KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 — — WO disclosed
WO-2009071888-A1 PYRROLOTHIAZOLES AS PI3-KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 — — WO disclosed
EP-2035436-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-18 — — EP disclosed
WO-2008001076-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-01-03 — — 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 (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-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors PI4KA, PDPK1, PIK3CA GPR3 1367/4885CYP1A2 2905/4885CYP2C19 1370/4885

“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.