Sugi Predict

Sugi Predict / Compounds / SCHEMBL4473676

SCHEMBL4473676

SCHEMBL4473676

Nc1cnc(N2CCN(C(=O)c3c(F)cccc3F)CC2)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.56
▸ KDM4E B2RXH2 4/20 0.56
▸ ABL1 P00519 2/20 0.56
▸ BCR P11274 2/20 0.56
▸ LMNA P02545 7/20 0.55
▸ CYP2C9 P11712 3/20 0.55
▸ CYP2C19 P33261 3/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ TP53 P04637 6/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ CYP2D6 P10635 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ MAPT P10636 3/20 0.50
▸ TSHR P16473 1/20 0.48
▸ HTT P42858 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL4479558 0.88 LMNA (0.61) ALDH1A1KDM4ELMNACYP2C9CYP2C19
SCHEMBL3180285 0.78 ALDH1A1 (0.55) ALDH1A1KDM4EABL1BCRLMNA
SCHEMBL4482163 0.78 TP53 (0.49) ALDH1A1KDM4ELMNACYP2C9CYP2C19
SCHEMBL4475051 0.77 CKS1B (0.49) ALDH1A1KDM4ELMNACYP2C9CYP2C19
SCHEMBL27748975 0.75 TP53 (0.46) ALDH1A1KDM4ELMNACYP2C9CYP2C19
SCHEMBL21449476 0.73 HPGD (0.58) ALDH1A1KDM4ELMNACYP2C9CYP2C19
SCHEMBL4468168 0.70 ALDH1A1 (0.63) ALDH1A1KDM4ELMNACYP2C9CYP2C19
SCHEMBL937270 0.70 KDM4E (0.58) ALDH1A1KDM4EABL1BCRLMNA
SCHEMBL3174645 0.70 ALDH1A1 (0.54) ALDH1A1KDM4EABL1BCRLMNA
SCHEMBL3181339 0.70 ALDH1A1 (0.51) ALDH1A1KDM4EABL1BCRLMNA

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-7582638-B2 Pyrazole-isoquinoline urea derivatives as p38 kinase inhibitors ELI LILLY AND COMPANY (US) 2009-09-01 — — US disclosed
US-20080275056-A1 With improved potency and greater bioavailability; 1-{1-[1-(1-Methyl-cyclopropanecarbonyl)-piperidin-4-yloxy]-isoquinolin-4-yl}-3-[5-(1-methyl-cyclopropyl)-2-p-tolyl-2H-pyrazol-3-yl]-urea; antimetastasis and antineoplastic agents, rheumatoid arthritis ELI LILLY AND COMPANY 2008-11-06 — — US disclosed
EP-1943244-A1 PYRAZOLE-ISOQUINOLINE UREA DERIVATIVES AS P38 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2008-07-16 — — EP disclosed
WO-2007053346-A1 PYRAZOLE-ISOQUINOLINE UREA DERIVATIVES AS P38 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2007-05-10 — — 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-20080275056-A1 With improved potency and greater bioavailability; 1-{1-[1-(1-Methyl-cyclopropanecarbonyl)-piperidin-4-yloxy]-isoquinolin-4-yl}-3-[5-(1-methyl-cyclopropyl)-2-p-tolyl-2H-pyrazol-3-yl]-urea; antimetastasis and antineoplastic agents, rheumatoid arthritis CNKSR1, CHUK, SLC14A1 ALDH1A1 1769/4885KDM4E 739/4885ABL1 161/4885

“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.