SCHEMBL216052

SCHEMBL216052

Cc1ccc(-n2cnc(C(N)=O)c2C(=O)Nc2nc3cc(OCC(=O)NCc4ccccn4)ccc3[nH]2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ROCK2 O75116 1/20 0.39
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38

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 0.91 MEN1 (0.42) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL213493 0.89 ROCK2 (0.39) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL214443 0.88 MEN1 (0.38) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL215040 0.87 MEN1 (0.40) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL214971 0.87 SMN1; SMN2 (0.41) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL213250 0.82 ROCK2 (0.40) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL214874 0.79 RAB9A (0.50) MAPTKMT2ANPC1RAB9AALDH1A1
SCHEMBL214814 0.79 CHEK2 (0.40) KMT2AMEN1ROCK2POLB
SCHEMBL213666 0.79 ALDH1A1 (0.38) MAPTKMT2AMEN1NPC1RAB9A
Hydrochloric Acid SCHEMBL215295 0.78 CHEK2 (0.40) KMT2AMEN1ROCK2POLB

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 6 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-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 2138/4885KMT2A 437/4885MEN1 3504/4885

“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.