SCHEMBL215292

SCHEMBL215292

Cc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2cc(OCC(=O)NCC3CCNCC3)ccc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 2/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 3/20 0.35
MEN1 O00255 2/20 0.35
HPGD P15428 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
GAA P10253 3/20 0.35
HTR4 Q13639 1/20 0.34
TOP2A P11388 2/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP3A4 P08684 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
SCHEMBL214621 0.90 ALDH1A1 (0.39) MAPTSMN1; SMN2TP53ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL216278 0.90 ALDH1A1 (0.39) MAPTSMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL214320 0.88 ALDH1A1 (0.43) MAPTSMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL214824 0.87 ALDH1A1 (0.41) MAPTSMN1; SMN2ALDH1A1KDM4EKMT2A
Hydrochloric Acid SCHEMBL213801 0.86 ALDH1A1 (0.40) MAPTSMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL4097621 0.85 MAPT (0.43) MAPTSMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL2735354 0.84 MAPT (0.44) MAPTSMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL213667 0.84 KMT2A (0.42) MAPTSMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL14222346 0.83 ALDH1A1 (0.40) MAPTSMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL213711 0.82 ALDH1A1 (0.38) MAPTSMN1; SMN2TP53ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US claimed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US claimed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 MAPT 2138/4885SMN1; SMN2 2516/4885TP53 1743/4885

“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.