SCHEMBL214971

SCHEMBL214971

Cc1ccc(-n2cnc(C(N)=O)c2C(=O)Nc2nc3cc(OCC(=O)NCCc4ccccc4)ccc3[nH]2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
THRB P10828 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 4/20 0.39
TP53 P04637 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.38
ROCK2 O75116 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALOX12 P18054 1/20 0.37
ADORA1 P30542 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL214560 0.93 MEN1 (0.42) SMN1; SMN2PKMMEN1KMT2AMAPT
SCHEMBL214443 0.91 MEN1 (0.38) SMN1; SMN2PKMTHRBMEN1KMT2A
SCHEMBL215040 0.88 MEN1 (0.40) SMN1; SMN2PKMTHRBMEN1KMT2A
SCHEMBL216052 0.87 MAPT (0.46) MEN1KMT2AMAPTALDH1A1ROCK2
SCHEMBL213493 0.87 ROCK2 (0.39) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL213250 0.82 ROCK2 (0.40) PKMMEN1KMT2AMAPTTP53
SCHEMBL214814 0.79 CHEK2 (0.40) MEN1KMT2ATP53ROCK2POLB
Hydrochloric Acid SCHEMBL215295 0.79 CHEK2 (0.40) MEN1KMT2ATP53ROCK2POLB
SCHEMBL216399 0.78 LMNA (0.45) SMN1; SMN2MEN1KMT2AALDH1A1ROCK2
SCHEMBL215480 0.77 MAPT (0.44) SMN1; SMN2PKMTHRBMEN1KMT2A

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
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
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP claimed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO claimed
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
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 SMN1; SMN2 2516/4885PKM 934/4885THRB 2480/4885

“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.