SCHEMBL5956698

SCHEMBL5956698

Cc1cccc(CC(=O)c2ccnc(-c3ccc(CN(C)C)cc3)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.40
KDM1A O60341 2/20 0.39
HDAC1 Q13547 2/20 0.39
ABL1 P00519 2/20 0.38
BCR P11274 2/20 0.38
KCNH2 Q12809 1/20 0.36
MCHR1 Q99705 1/20 0.36
ACVR1 Q04771 2/20 0.36
CHUK O15111 1/20 0.36
INSR P06213 1/20 0.36
MAPK8 P45983 1/20 0.36
CAMKK2 Q96RR4 1/20 0.36
CSF1R P07333 1/20 0.36
PARP1 P09874 3/20 0.36
ROCK2 O75116 2/20 0.35
PARP2 Q9UGN5 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35

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
SCHEMBL6231313 0.84 RAB9A (0.46)
SCHEMBL5907457 0.83 KDM1A (0.38) KDM1AHDAC1ABL1BCRIRAK4
SCHEMBL5956373 0.82 WNK1 (0.45) HDAC1ABL1BCRPARP1
SCHEMBL5956396 0.81 CYP1A2 (0.39) ABL1BCR
SCHEMBL5907501 0.79 HDAC1 (0.47) KDM1AHDAC1ACVR1CHUKMAPK8
SCHEMBL5956595 0.79 ACACA (0.43) KDM1AHDAC1ABL1BCR
SCHEMBL5956574 0.79 SCN10A (0.54) ABL1BCR
SCHEMBL5907471 0.78 ABL1 (0.51) ABL1BCR
SCHEMBL5907452 0.78 HDAC1 (0.50) KDM1AHDAC1ACVR1MAPK8ROCK2
SCHEMBL5956425 0.77 HPGD (0.52) ABL1BCR

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
US-20050054791-A1 low density, high impact strength, high tear resistance and high clarity, a degree of stiffness usually found in products made from resin of significantly higher density EXXONMOBIL CHEMICAL PATENTS INC. 2005-03-10 US claimed
EP-1461364-A1 ETHYLENE/ALPHA-OLEFIN COPOLYMER MADE WITH A NON-SINGLE-SITE/SINGLE-SITE CATALYST COMBINATION, ITS PREPARATION AND USE Exxonmobil Chemical Patents Inc. (US) 2004-09-29 EP claimed
WO-2003048213-A1 ETHYLENE/ALPHA-OLEFIN COPOLYMER MADE WITH A NON-SINGLE-SITE/SINGLE-SITE CATALYST COMBINATION, ITS PREPARATION AND USE EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2003-06-12 WO claimed
US-20060004051-A1 Compounds DODIC NERINA 2006-01-05 US disclosed
US-20050245520-A1 2-Phenylpyridin-4-yl derivatives as alk5 inhibitors DODIC NERINA 2005-11-03 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-20050245520-A1 2-Phenylpyridin-4-yl derivatives as alk5 inhibitors SMAD2, SMAD3, ALK EGFR 208/4885KDM1A 1516/4885HDAC1 1275/4885
US-20060004051-A1 Compounds SMAD3, SMAD2, TGFBR1 EGFR 56/4885KDM1A 2586/4885HDAC1 1234/4885

“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.