SCHEMBL6180952

SCHEMBL6180952

CC(=O)N1CCN(Cc2ccnc(Cl)c2C)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
ATM Q13315 1/20 0.53
HRH3 Q9Y5N1 2/20 0.51
PDCD1LG2 Q9BQ51 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
KDR P35968 1/20 0.44
MAPT P10636 2/20 0.43
MPI P34949 2/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ICAM1 P05362 1/20 0.42
LMNA P02545 1/20 0.41
FAAH O00519 1/20 0.41
CLK1 P49759 1/20 0.41
RORC P51449 1/20 0.41

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
SCHEMBL6179545 0.85 KMT2A (0.52) KMT2AMEN1ATMHRH3PDCD1LG2
SCHEMBL6182140 0.84 HRH3 (0.48) KMT2AMEN1ATMHRH3PDCD1LG2
SCHEMBL27565019 0.81 MEN1 (0.41) KMT2AMEN1ATMKDRMAPT
SCHEMBL7488587 0.80 MEN1 (0.40) KMT2AMEN1KDRMAPTMPI
SCHEMBL28868529 0.77 PDCD1 (0.52) KMT2AMEN1ATMCD274MAPT
SCHEMBL27565020 0.75 MEN1 (0.34) KMT2AMEN1KDRMAPTMPI
SCHEMBL6179564 0.75 MAP4K4 (0.47) KMT2AMEN1ATMHRH3PDCD1LG2
SCHEMBL1820620 0.74 MEN1 (0.65) KMT2AMEN1ATMHRH3KDR
SCHEMBL28648421 0.73 HRH3 (0.51) KMT2AMEN1HRH3PDCD1LG2CD274
SCHEMBL15450908 0.72 HRH3 (0.57) KMT2AMEN1ATMHRH3KDR

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
EP-1218376-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2005-11-09 EP disclosed
US-6586424-B2 Anticancer agents; anticholesterol agents MERCK & CO., INC. 2003-07-01 US disclosed
US-6586423-B2 2-(Pyridin-2-ylamino)-thiazole-5-carbonitrile derivatives; angiogenesis inhibitors; antitumor and anticarcinogenic agents; atherosclerosis, macular degeneration, diabetic retinopathy MERCK & CO., INC. 2003-07-01 US disclosed
US-20030064996-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2003-04-03 US disclosed
US-20020147203-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2002-10-10 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-20020147203-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KMT2A 3298/4885MEN1 4406/4885ATM 242/4885
US-20030064996-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KMT2A 3298/4885MEN1 4406/4885ATM 242/4885

“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.