SCHEMBL1244448

SCHEMBL1244448

COCCNc1c[c]ccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 5/20 0.45
MALT1 Q9UDY8 1/20 0.37
LDHA P00338 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NCF1 P14598 2/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 2/20 0.33
GAA P10253 2/20 0.33
USP2 O75604 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 2/20 0.33
RORC P51449 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL1419146 0.90 KCNH3 (0.47) KCNH3MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL28424828 0.82 KCNH3 (0.38) KCNH3MALT1NCF1MAPTALDH1A1
SCHEMBL4460052 0.79 MAPT (0.35) KCNH3MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL1244703 0.77 KCNH3 (0.42) KCNH3MALT1LDHANCF1MAPT
SCHEMBL632952 0.77 KCNH3 (0.62) KCNH3MALT1LDHANCF1MAPT
SCHEMBL4462101 0.76 ALDH1A1 (0.42) KCNH3MAPTALDH1A1KDM4ECYP1A2
SCHEMBL7352532 0.76 RECQL (0.41) KCNH3MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL16861366 0.76 HDAC3 (0.36) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL3707096 0.75 CYP2C19 (0.41) MALT1NCF1ALDH1A1KDM4EHSD17B10
SCHEMBL4221988 0.75 KCNH3 (0.45) KCNH3MAPTALDH1A1SMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166132-A1 Gamma Secretase Modulators AMGEN INC. (US) 2011-07-07 US claimed
EP-2231602-A1 GAMMA SECRETASE MODULATORS Amgen, Inc (US) 2010-09-29 EP claimed
WO-2009075874-A1 GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-06-18 WO claimed
US-20110166132-A1 Gamma Secretase Modulators AMGEN INC. (US) 2011-07-07 US disclosed
US-7879853-B2 tyrosisne kinase inhibitors such as N-[4-(6-Dibenzofuran-4-yl-pyrimidin-4-ylamino)-phenyl]-4-morpholin-4-yl-benzamide, used as anticasrcinogenic or antoproliferative agents, especially in the treatment of breast cancer BAYER SCHERING PHARMA AG (DE) 2011-02-01 US disclosed
EP-2231602-A1 GAMMA SECRETASE MODULATORS Amgen, Inc (US) 2010-09-29 EP disclosed
EP-1763526-B1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AG (DE) 2009-06-24 EP disclosed
WO-2009075874-A1 GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-06-18 WO disclosed
US-20070208034-A1 4,6-disubstituted pyrimidines and their use as protein kinase inhibitors ATLANTA PHARMA AG (DE) 2007-09-06 US disclosed
CN-1972934-A 4,6-disubstituted pyrimidines and their use as protein kinase inhibitors ALTANA PHARMA AG (DE) 2007-05-30 CN disclosed
EP-1763526-A1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS Altana Pharma AG (DE) 2007-03-21 EP disclosed
WO-2006000589-A1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS ALTANA PHARMA AG (DE) 2006-01-05 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-20070208034-A1 4,6-disubstituted pyrimidines and their use as protein kinase inhibitors CDK2, DCK, DTYMK KCNH3 3074/4885MALT1 3596/4885LDHA 3479/4885
US-20110166132-A1 Gamma Secretase Modulators BACE1, BACE2, PSEN1 KCNH3 4441/4885MALT1 4323/4885LDHA 3892/4885

“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.