SCHEMBL5409152

SCHEMBL5409152

CN1CCN(C(=O)c2ccc(-c3cnc4c(-c5ccccc5)cnn4c3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
KDR P35968 7/20 0.56
PRKAB1 Q9Y478 3/20 0.53
ACVR1 Q04771 2/20 0.53
TGFBR1 P36897 2/20 0.53
FLT1 P17948 2/20 0.53
FLT4 P35916 2/20 0.53
MKNK1 Q9BUB5 2/20 0.53
MKNK2 Q9HBH9 2/20 0.53
CYP2C9 P11712 1/20 0.52
BMP4 P12644 2/20 0.50
PRKAB2 O43741 1/20 0.50
PRKAG1 P54619 1/20 0.50
PRKAA2 P54646 1/20 0.50
PRKAA1 Q13131 1/20 0.50
PRKAG3 Q9UGI9 1/20 0.50
PRKAG2 Q9UGJ0 1/20 0.50
GAK O14976 1/20 0.50
ACVR1B P36896 1/20 0.49
TGFBR2 P37173 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
SCHEMBL5419072 0.87 ACVR1 (0.68) KDRPRKAB1ACVR1TGFBR1FLT1
SCHEMBL5409052 0.83 KDR (0.51) KDRPRKAB1ACVR1TGFBR1FLT1
SCHEMBL5416682 0.81 KDR (0.67) KDRPRKAB1ACVR1TGFBR1FLT1
SCHEMBL8158988 0.79 POLB (1.00) POLBCYP2C9HPGDSLC6A7ALDH1A1
SCHEMBL14424408 0.77 KDR (0.85) KDRPRKAB1ACVR1TGFBR1FLT1
SCHEMBL3758736 0.76 MAP4K4 (0.57) KDRPRKAB1ACVR1TGFBR1FLT1
SCHEMBL3771427 0.76 RET (0.49) KDRPRKAB1PRKAG1PRKAA1ACVR1B
SCHEMBL7618559 0.75 KDR (0.77) KDRPRKAB1ACVR1TGFBR1FLT1
SCHEMBL20449050 0.73 POLB (0.86) POLBCYP2C9HPGDSLC6A7TSHR
SCHEMBL14437843 0.73 KDR (0.68) KDRPRKAB1ACVR1TGFBR1FLT1

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
US-7262199-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-08-28 US claimed
US-20060183755-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2006-08-17 US claimed
WO-2004052286-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2004-06-24 WO claimed
US-7262199-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-7262199-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-7262199-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-20060183755-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2006-08-17 US disclosed
WO-2004052286-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2004-06-24 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-20060183755-A1 Tyrosine kinase inhibitors FLT1, FLT4, KDR POLB 2718/4885KDR 3/4885PRKAB1 583/4885

“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.