SCHEMBL5284940

SCHEMBL5284940

CC(C)=NN=c1n(C)c2ccc(Br)cc2n1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
MAPT P10636 4/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
USP2 O75604 1/20 0.33
PDGFRA P16234 1/20 0.32
CDK5 Q00535 1/20 0.32
TYRO3 Q06418 1/20 0.32
KDM4E B2RXH2 3/20 0.32
HPGD P15428 2/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL5283139 0.81 MAPT (0.35) MCL1MEN1KMT2AATMALDH1A1
SCHEMBL5281629 0.80 LMNA (0.38) MEN1KMT2AALDH1A1MAPTCA12
SCHEMBL5283985 0.78 GPR3 (0.38) KMT2AALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL5288613 0.78
SCHEMBL30336283 0.77 HTR7 (0.39) MCL1MEN1KMT2AATMALDH1A1
SCHEMBL4616296 0.75 MCL1 (0.38) MCL1MEN1KMT2AATMALDH1A1
SCHEMBL474471 0.69 MEN1 (0.55) MCL1MEN1KMT2AATMALDH1A1
SCHEMBL29209075 0.69 CXCR3 (0.46) MCL1MEN1KMT2AATMALDH1A1
SCHEMBL29209042 0.69 THRB (0.47) MCL1MEN1KMT2AATMALDH1A1
SCHEMBL29556288 0.61 GPR3 (0.44) MCL1MEN1KMT2AATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599178-B1 MEANS AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2007-12-19 EP disclosed
US-7294151-B2 Means and method for dyeing keratin fibres WELLA AG (DE) 2007-11-13 US disclosed
US-20060070190-A1 Means and method for dyeing keratin fibres KOYO SEIKO CO., LTD. (JP) 2006-04-06 US disclosed
EP-1599178-A1 MEANS AND METHOD FOR DYEING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2005-11-30 EP disclosed
WO-2004078151-A1 MEANS AND METHOD FOR DYEING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2004-09-16 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-20060070190-A1 Means and method for dyeing keratin fibres KRT18, KLK5, KIT MCL1 3548/4885MEN1 3322/4885KMT2A 1273/4885

“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.