SCHEMBL2163402

SCHEMBL2163402

COc1cc(C#N)c(N)cc1OCCCN1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 7/20 0.55
CYP2D6 P10635 1/20 0.54
TSHR P16473 1/20 0.54
SRC P12931 9/20 0.53
ABL1 P00519 3/20 0.52
BCR P11274 2/20 0.52
CHEK1 O14757 1/20 0.52
RAF1 P04049 1/20 0.51
MAPK3 P27361 1/20 0.51
MAPK1 P28482 1/20 0.51
FYN P06241 1/20 0.51
EGFR P00533 2/20 0.50
ERBB2 P04626 1/20 0.50
FLT1 P17948 1/20 0.49
KDR P35968 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
SCHEMBL3281444 1.00 MAP2K1 (0.55) MAP2K1CYP2D6TSHRSRCABL1
Hydrochloric Acid SCHEMBL27950647 0.99 MAP2K1 (0.54) MAP2K1CYP2D6TSHRSRCABL1
SCHEMBL17921469 0.88 SRC (0.50) CYP2D6TSHRSRC
SCHEMBL5029388 0.88 SRC (0.54) MAP2K1SRCABL1BCRCHEK1
SCHEMBL14216880 0.83 MAP2K1 (0.52) MAP2K1CYP2D6TSHRSRCABL1
SCHEMBL14421398 0.81 CYP2D6 (0.56) MAP2K1CYP2D6TSHRSRCABL1
SCHEMBL3280339 0.81 CYP2D6 (0.56) MAP2K1CYP2D6TSHRSRCABL1
SCHEMBL14421313 0.81 MAP2K1 (0.52) MAP2K1CYP2D6TSHRSRCABL1
SCHEMBL5023805 0.80 LMNA (0.54) MAP2K1CYP2D6SRCABL1BCR
SCHEMBL13388323 0.79 TSHR (0.51) MAP2K1CYP2D6TSHRSRCMAPK1

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-8349835-B2 Aromatic ring fused triazine derivatives and uses thereof SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2013-01-08 US disclosed
US-8349835-B2 Aromatic ring fused triazine derivatives and uses thereof SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2013-01-08 US disclosed
US-8349835-B2 Aromatic ring fused triazine derivatives and uses thereof SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2013-01-08 US disclosed
US-20110183972-A1 AROMATIC RING FUSED TRIAZINE DERIVATIVES AND USES THEREOF SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2011-07-28 US disclosed
US-20110183972-A1 AROMATIC RING FUSED TRIAZINE DERIVATIVES AND USES THEREOF SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2011-07-28 US disclosed
US-20110183972-A1 AROMATIC RING FUSED TRIAZINE DERIVATIVES AND USES THEREOF SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2011-07-28 US disclosed
EP-2251332-A1 THE AROMATIC RING TRIAZINE DERIVATIVES AND THE USES THEREOF Shenyang Pharmaceutical University (CN) 2010-11-17 EP disclosed
WO-2002000649-A9 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2007-09-20 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-20110183972-A1 AROMATIC RING FUSED TRIAZINE DERIVATIVES AND USES THEREOF KDR, FLT1, FLT4 MAP2K1 442/4885CYP2D6 1602/4885TSHR 1250/4885

“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.