SCHEMBL1901971

SCHEMBL1901971

COc1cc(-c2cnn(C)c2)cn2ncc(-c3ccc(-c4cccnc4)cc3)c12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.49
DYRK1A Q13627 1/20 0.46
GAK O14976 1/20 0.45
RET P07949 11/20 0.43
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
PDE2A O00408 1/20 0.41
PDE5A O76074 1/20 0.41
PDE4A P27815 1/20 0.41
PDE11A Q9HCR9 1/20 0.41
PDE10A Q9Y233 1/20 0.41
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
ACVR2A P27037 1/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40

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
SCHEMBL12461791 0.95 KDR (0.49) KDRDYRK1AGAKRETACVR2A
SCHEMBL1903502 0.89 KDR (0.50) KDRGAKRETACVR2AFLT1
SCHEMBL12461270 0.85 KDR (0.53) KDRGAKMKNK1MKNK2PDE2A
SCHEMBL12461844 0.85 DYRK1A (0.45) KDRDYRK1AGAKRETACVR2A
SCHEMBL12461799 0.84 RET (0.48) KDRGAKRETFLT1FLT4
SCHEMBL13509522 0.84 KDR (0.46) KDRGAKRETMKNK1MKNK2
SCHEMBL12461830 0.84 ERN1 (0.47) GAKRETACVR2A
SCHEMBL13509615 0.83 GAK (0.44) GAKRETACVR2A
SCHEMBL12461307 0.83 ERN1 (0.48) GAKRETACVR2A
SCHEMBL1907353 0.82 KDR (0.48) KDRGAKRETACVR2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US claimed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US claimed
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US disclosed
EP-2320907-A1 THERAPEUTIC COMPOUNDS Merck & Co., Inc. (US) 2011-05-18 EP disclosed
WO-2010017047-A1 THERAPEUTIC COMPOUNDS MERCK & CO., INC. (US) 2010-02-11 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-20110207711-A1 Therapeutic Compounds WEE2, MARK3, WEE1 KDR 1534/4885DYRK1A 281/4885GAK 275/4885

“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.