SCHEMBL214375

SCHEMBL214375

Cc1ccc(Cl)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2cc(OCC3CCNCC3)ccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 3/20 0.39
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
GAA P10253 2/20 0.38
HTT P42858 2/20 0.37
LMNA P02545 2/20 0.36
CHEK2 O96017 1/20 0.36
MEN1 O00255 2/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TP53 P04637 1/20 0.35
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
KLF5 Q13887 1/20 0.34

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
Hydrochloric Acid SCHEMBL214583 0.99 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL2735448 0.94 CHEK2 (0.41) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL14222346 0.93 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL214621 0.91 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL216278 0.91 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL216261 0.90 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL216947 0.90 SMN1; SMN2 (0.40) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL214815 0.88 MAPT (0.41) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL215296 0.88 MAPT (0.40) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL215916 0.87 NPSR1 (0.43) ALDH1A1MAPTKMT2ACHEK2MEN1

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 7 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 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
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 ALDH1A1 4295/4885KDM4E 952/4885MAPT 2138/4885

“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.