Sugi Predict

Sugi Predict / Compounds / SCHEMBL3560020

SCHEMBL3560020

SCHEMBL3560020

CC(=O)N1CCC(c2ccc(N/C=C3\C(=O)NC(=O)c4ccc(Br)cc43)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QDPR P09417 2/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ ALK Q9UM73 2/20 0.37
▸ PRKAB2 O43741 2/20 0.36
▸ PRKAG1 P54619 2/20 0.36
▸ PRKAA2 P54646 2/20 0.36
▸ PRKAA1 Q13131 2/20 0.36
▸ PRKAG3 Q9UGI9 2/20 0.36
▸ PRKAG2 Q9UGJ0 2/20 0.36
▸ PRKAB1 Q9Y478 2/20 0.36
▸ WNT3A P56704 1/20 0.36
▸ STING1 Q86WV6 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ ZAP70 P43403 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34

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
SCHEMBL3560025 1.00 QDPR (0.40) QDPRKDM1AMAOAMAOBALK
SCHEMBL3561015 0.88 MAOA (0.34) QDPRKDM1AMAOAMAOBZAP70
SCHEMBL3561013 0.88 MAOA (0.34) QDPRKDM1AMAOAMAOBZAP70
SCHEMBL3563119 0.83 WNT3A (0.40) QDPRPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3563121 0.83 WNT3A (0.40) QDPRPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3560367 0.77 ALDH1A1 (0.44) CDK4CCND1CDK2KDM4EALDH1A1
SCHEMBL3560371 0.77 ALDH1A1 (0.44) CDK4CCND1CDK2KDM4EALDH1A1
SCHEMBL3564253 0.77 APP (0.38) QDPRKDM1AMAOAZAP70KDM4E
SCHEMBL3564251 0.77 APP (0.38) QDPRKDM1AMAOAZAP70KDM4E
SCHEMBL3573272 0.76 PDGFRB (0.42) CDK4CCND1CDK2ALDH1A1CCNB2

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-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 — — US disclosed
EP-1963273-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-09-03 — — EP disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 — — US disclosed
WO-2007075783-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR WYETH (US) 2007-07-05 — — 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-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof SULT1E1, RECQL, HAX1 QDPR 170/4885KDM1A 1314/4885MAOA 3210/4885

“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.