SCHEMBL3287907

SCHEMBL3287907

CCOC(=O)c1nc(Cl)c2cc(C)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
MAPK1 P28482 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 8/20 0.51
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
HPGD P15428 3/20 0.45
SCN9A Q15858 1/20 0.45
GLA P06280 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 2/20 0.44

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
SCHEMBL7495667 0.89 KMT2A (0.54) KDM4EL3MBTL1TDP1SMN1; SMN2MAPT
SCHEMBL163631 0.86 TSHR (0.52) KDM4EL3MBTL1TDP1SMN1; SMN2MAPT
SCHEMBL3996643 0.85 SHMT2 (0.54) KDM4ETDP1SMN1; SMN2MAPTALDH1A1
SCHEMBL161315 0.83 SMN1; SMN2 (0.61) KDM4EL3MBTL1TDP1SMN1; SMN2MAPT
SCHEMBL13295307 0.80 ALDH1A1 (0.52) KDM4EL3MBTL1TDP1MAPK1SMN1; SMN2
SCHEMBL29799053 0.80 ALDH1A1 (0.52) KDM4EL3MBTL1TDP1MAPK1SMN1; SMN2
SCHEMBL166288 0.78 TSHR (0.52) KDM4EL3MBTL1TDP1SMN1; SMN2MAPT
SCHEMBL163006 0.78 KMT2A (0.42) KDM4EL3MBTL1TDP1SMN1; SMN2MAPT
SCHEMBL163814 0.78 SMN1; SMN2 (0.50) KDM4EL3MBTL1TDP1MAPK1SMN1; SMN2
SCHEMBL9729781 0.78 ALDH1A1 (0.55) KDM4EL3MBTL1TDP1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718663-B2 Quinazoline derivatives and medicaments NIPPON SHINYAKU CO., LTD. (JP) 2010-05-18 US disclosed
US-20050176741-A1 Nociceptin antagonism; antipruritic effect; N-{4-[((1S,2R)-2-{[amino(imino)methyl]amino}cyclohexyl)amino]-6-methylquinazolin-2-yl}-1-benzothiophene-2-carboxamide dihydrochloride NIPPON SHINYAKU CO., LTD. (JP) 2005-08-11 US disclosed
EP-1500652-A1 QUINAZOLINE DERIVATIVE AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2005-01-26 EP 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-20050176741-A1 Nociceptin antagonism; antipruritic effect; N-{4-[((1S,2R)-2-{[amino(imino)methyl]amino}cyclohexyl)amino]-6-methylquinazolin-2-yl}-1-benzothiophene-2-carboxamide dihydrochloride OPRL1, TRPV1, OPRK1 KDM4E 3920/4885L3MBTL1 3236/4885TDP1 4753/4885

“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.