SCHEMBL6179564

SCHEMBL6179564

CC(=O)N1CCN(Cc2ccnc(N)c2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.47
HRH3 Q9Y5N1 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
ICAM1 P05362 1/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
FAAH O00519 1/20 0.40
RORC P51449 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PDCD1LG2 Q9BQ51 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
AOC3 Q16853 1/20 0.39
KDR P35968 1/20 0.39
DRD3 P35462 1/20 0.39
CASP6 P55212 1/20 0.38

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
SCHEMBL6182140 0.85 HRH3 (0.48) MAP4K4HRH3MEN1KMT2AATM
SCHEMBL6179545 0.84 KMT2A (0.52) MAP4K4HRH3MEN1KMT2AATM
SCHEMBL16171454 0.78 HRH3 (0.49) HRH3MEN1KMT2AATML3MBTL1
SCHEMBL23004647 0.78 HRH3 (0.49) HRH3MEN1KMT2AATML3MBTL1
SCHEMBL6180952 0.75 KMT2A (0.53) HRH3MEN1KMT2AATML3MBTL1
SCHEMBL22163870 0.73 ALDH1A1 (0.51) HRH3MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL31032818 0.73 PARP1 (0.60)
SCHEMBL31032890 0.72 PARP1 (0.55)
SCHEMBL8261374 0.72 ALDH1A1 (0.70) HRH3MEN1KMT2AATMALDH1A1
SCHEMBL6179215 0.71 KDR (0.68) MEN1KMT2AATMKDR

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 8 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
EP-1218376-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2002-11-20 EP disclosed
US-20020147203-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2002-10-10 US disclosed
EP-1218376-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2002-07-03 EP disclosed
WO-2001017995-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2001-03-15 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 (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 MAP4K4 79/4885HRH3 3514/4885MEN1 4406/4885
US-20030064996-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 MAP4K4 79/4885HRH3 3514/4885MEN1 4406/4885

“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.