SCHEMBL6182586

SCHEMBL6182586

COC(CN)(OC)c1ccncc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.38
KIF11 P52732 3/20 0.37
CYP2D6 P10635 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
CHRM1 P11229 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
KCNA1 Q09470 1/20 0.32
HRH1 P35367 2/20 0.31
RAB9A P51151 2/20 0.31
USP2 O75604 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31

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
Hydrochloric Acid SCHEMBL1533248 0.98 LOXL2 (0.37) LOXL2KIF11CYP2D6SMN1; SMN2MEN1
SCHEMBL12600014 0.81 HRH1 (0.43) LOXL2KIF11CYP2D6HRH1CYP2C9
SCHEMBL750510 0.80 LOXL2 (0.35) LOXL2KIF11CYP2D6SMN1; SMN2MEN1
SCHEMBL2252740 0.78 TAAR1 (0.52) KIF11SMN1; SMN2MAPK1TAAR1
SCHEMBL27832092 0.78 KIF11 (0.38) KIF11RAB9AUSP2CYP19A1
SCHEMBL3160994 0.77 CYP19A1 (0.49) CYP2D6LMNACYP19A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL3660924 0.77 TAAR1 (0.50) KIF11SMN1; SMN2MEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL17275738 0.76 CYP19A1 (0.47) CYP2D6LMNACYP19A1CYP1A2CYP2C9
SCHEMBL17275709 0.76 UHRF1 (0.39) LOXL2
SCHEMBL2785385 0.73 KCNA5 (0.40) KIF11CYP2D6LMNACYP19A1CYP1A2

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 LOXL2 485/4885KIF11 3402/4885CYP2D6 4826/4885
US-20030064996-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 LOXL2 485/4885KIF11 3402/4885CYP2D6 4826/4885

“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.