SCHEMBL214558

SCHEMBL214558

Cc1cc(NC(=O)c2[nH]cnc2C(=O)Nc2nc3ccccc3[nH]2)c(Cl)cc1OCCCN1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
HTT P42858 2/20 0.39
KLF5 Q13887 1/20 0.39
GAA P10253 1/20 0.39
CYP1A2 P05177 1/20 0.39
SIRT1 Q96EB6 1/20 0.38
HSP90AA1 P07900 1/20 0.38
PKM P14618 1/20 0.38
PAX8 Q06710 1/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CLK1 P49759 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
SCHEMBL2735427 1.00 MEN1 (0.39) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL214619 0.89 ATM (0.41) MEN1KMT2AMAPTNPSR1
SCHEMBL2735428 0.89 ATM (0.41) MEN1KMT2AMAPTNPSR1
SCHEMBL216183 0.89 DRD3 (0.42) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL2735429 0.89 DRD3 (0.42) MEN1KMT2AALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL215263 0.88 DRD3 (0.41) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL2735363 0.81 NPC1 (0.40) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL4412205 0.80 DRD3 (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2735374 0.79 LTA4H (0.42) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL2735438 0.79 LTA4H (0.42) MEN1KMT2AALDH1A1SMN1; SMN2POLB

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 MEN1 3504/4885KMT2A 437/4885ALDH1A1 4295/4885

“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.