Sugi Predict

Sugi Predict / Compounds / SCHEMBL7716402

SCHEMBL7716402

SCHEMBL7716402

COc1ccc2nc(C3CCNCC3)[nH]c(=O)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ ROCK2 O75116 4/20 0.51
▸ TUBB4A P04350 2/20 0.49
▸ TUBB P07437 2/20 0.49
▸ TUBA3C P0DPH7 2/20 0.49
▸ TUBA1B P68363 2/20 0.49
▸ TUBA4A P68366 2/20 0.49
▸ TUBB4B P68371 2/20 0.49
▸ TUBB3 Q13509 2/20 0.49
▸ TUBB2A Q13885 2/20 0.49
▸ TUBB8 Q3ZCM7 2/20 0.49
▸ TUBA3E Q6PEY2 2/20 0.49
▸ TUBA1A Q71U36 2/20 0.49
▸ TUBA1C Q9BQE3 2/20 0.49
▸ TUBB6 Q9BUF5 2/20 0.49
▸ TUBB2B Q9BVA1 2/20 0.49
▸ TUBB1 Q9H4B7 2/20 0.49
▸ HTR6 P50406 1/20 0.49

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
SCHEMBL259536 0.89 KDM4E (0.59) KDM4ELMNAHSD17B10ROCK2TUBB4A
SCHEMBL7718391 0.82 PDE3B (0.51) KDM4EROCK2TUBB4ATUBBTUBA3C
SCHEMBL22639961 0.82 POLB (0.54) KDM4ELMNAHSD17B10HTR6HTR2C
SCHEMBL7716117 0.81 ROCK2 (0.51) KDM4EROCK2TUBB4ATUBBTUBA3C
SCHEMBL7715490 0.81 ROCK2 (0.51) ROCK2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14447539 0.79 HTR6 (0.50) HTR6HTR2C
SCHEMBL7713954 0.77 PARP1 (0.54) ROCK2KHKCDC7PIM1CSNK2B
SCHEMBL30496105 0.77 PARP1 (0.54) ROCK2KHKCDC7PIM1CSNK2B
SCHEMBL7715493 0.75 TNKS (0.44) ROCK2PARGKHKCDC7PIM1
SCHEMBL259493 0.75 TUBB4A (0.56) KDM4ELMNAHSD17B10ROCK2TUBB4A

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-6376500-B2 1-(INDOL-3-YLALKYL)ALKYLPIPERIDIN-4 -YL)-3H-QUINOLIN-4-ONE, FOR EXAMPLE; ALPHA1A/ B-RECEPTOR ANTAGONISTS; SIDE EFFECT REDUCTION; UROGENITAL DISORDERS; BENIGN PROSTATIC HYPERTROPHY; ANALGESICS FOR INFLAMMATORY, NEUROPATHY, CANCER, SYNTEX (U.S.A.) LLC 2002-04-23 — — US disclosed
US-20010051627-A1 Substituted 2-(4-piperidyl)-4(3H)-quinazolinones and 2-(4-piperidyl)- 4(3H)-azaquinazolinones CLARK ROBIN DOUGLAS (US) 2001-12-13 — — US disclosed
US-6258819-B1 BIOLOGICAL RECEPTORS, ANTIINFLAMMATORY AGENTS, BENIGN PROSTATE AND SIDE EFFECT REDUCTION SYNTEX (U.S.A.) LLC 2001-07-10 — — US disclosed
WO-2001010860-A2 QUINAZOLINONE AND AZAQUINAZOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-02-15 — — 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-20010051627-A1 Substituted 2-(4-piperidyl)-4(3H)-quinazolinones and 2-(4-piperidyl)- 4(3H)-azaquinazolinones ADRA2B, ADRA1D, ADRA1B KDM4E 2218/4885LMNA 2489/4885HSD17B10 3320/4885

“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.