SCHEMBL2789615

SCHEMBL2789615

CC(C)c1ccc(Nc2cnccn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.64
NPC1 O15118 5/20 0.64
NFKB1 P19838 1/20 0.49
KMT2A Q03164 2/20 0.48
FFAR2 O15552 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.44
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
STK17B O94768 1/20 0.42
STK17A Q9UEE5 1/20 0.42
MAPKAPK2 P49137 1/20 0.41
KDR P35968 1/20 0.41
RECQL P46063 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40

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
SCHEMBL3559320 0.87 RAB9A (0.50) RAB9ANPC1KMT2AFFAR2SMN1; SMN2
SCHEMBL31220873 0.80 RAB9A (0.61) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL29806164 0.80 RAD52 (0.53) RAB9ANPC1KMT2AALDH1A1KDM4E
SCHEMBL3550056 0.79 RAB9A (0.53) RAB9ANPC1KMT2AFFAR2SMN1; SMN2
SCHEMBL14758463 0.79 RAB9A (1.00) RAB9ANPC1KMT2AFFAR2SMN1; SMN2
SCHEMBL22971333 0.77 KDR (0.44) RAB9ANPC1KMT2AALDH1A1KDM4E
SCHEMBL2793375 0.77 NPC1 (0.54) RAB9ANPC1NFKB1KMT2ASMN1; SMN2
SCHEMBL15145230 0.77 AURKA (0.56) RAB9ANPC1KMT2AKDM4EPOLB
SCHEMBL28324147 0.77 KMT2A (0.61) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL31343853 0.76 RAB9A (0.59) RAB9ANPC1NFKB1KMT2ASMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107709315-A The inhibitor of bruton's tyrosine kinase 药品循环有限责任公司 2018-02-16 CN disclosed
US-9115112-B2 Aminoanthracene derivative and an organic electroluminescent element employing the same DOOSAN CORPORATION (KR) 2015-08-25 US disclosed
US-9115112-B2 Aminoanthracene derivative and an organic electroluminescent element employing the same DOOSAN CORPORATION (KR) 2015-08-25 US disclosed
US-9115112-B2 Aminoanthracene derivative and an organic electroluminescent element employing the same DOOSAN CORPORATION (KR) 2015-08-25 US disclosed
US-20120161615-A1 AMINOANTHRACENE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME DOOSAN CORPORATION (KR) 2012-06-28 US disclosed
US-20120161615-A1 AMINOANTHRACENE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME DOOSAN CORPORATION (KR) 2012-06-28 US disclosed
US-20120161615-A1 AMINOANTHRACENE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME DOOSAN CORPORATION (KR) 2012-06-28 US disclosed
WO-2010147318-A2 AMINOANTHRACENE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME 주식회사 두산 (KR) 2010-12-23 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-20120161615-A1 AMINOANTHRACENE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME AADAT, ALAD, AAAS RAB9A 2311/4885NPC1 4829/4885NFKB1 2747/4885

“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.