SCHEMBL5889084

SCHEMBL5889084

CN(C)C=Nc1cc(CCl)ncn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 3/20 0.30
ALDH1A1 P00352 2/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
GAA P10253 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
NFKB1 P19838 1/20 0.30
CASP1 P29466 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
CASP7 P55210 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL5889081 1.00 KMT2A (0.38) KMT2AL3MBTL1KDM4EALDH1A1NPC1
Hydrochloric Acid SCHEMBL10568264 0.69 CYP1A2 (0.42) KMT2AALDH1A1TP53CYP1A2CYP2D6
SCHEMBL11325902 0.69 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL1353065 0.66 KMT2A (0.43) KMT2AL3MBTL1KDM4EALDH1A1NPC1
SCHEMBL1353063 0.66 KMT2A (0.43) KMT2AL3MBTL1KDM4EALDH1A1NPC1
SCHEMBL7995499 0.64
SCHEMBL29525082 0.64
SCHEMBL23436449 0.63 KMT2A (0.40) KMT2AL3MBTL1KDM4EALDH1A1NPC1
SCHEMBL10830471 0.63 RAB9A (0.46) KMT2AL3MBTL1KDM4EALDH1A1NPC1
SCHEMBL23466114 0.63 KMT2A (0.41) KMT2AL3MBTL1KDM4EALDH1A1NPC1

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
US-7115597-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2006-10-03 US disclosed
US-20040063720-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2004-04-01 US disclosed
EP-1341540-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2003-09-10 EP disclosed
US-20020137755-A1 Tyrosine kinase inhibitors BILODEAU MARK T (US) 2002-09-26 US disclosed
WO-2002045652-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2002-06-13 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-20020137755-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KMT2A 3298/4885L3MBTL1 2910/4885KDM4E 2200/4885
US-20040063720-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KMT2A 3298/4885L3MBTL1 2910/4885KDM4E 2200/4885

“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.