SCHEMBL3510845

SCHEMBL3510845

Clc1cccc(-n2ccnn2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 14/20 0.50
MAP3K5 Q99683 1/20 0.48
HTR3A P46098 4/20 0.42
HTR3E A5X5Y0 3/20 0.42
HTR3B O95264 3/20 0.42
HTR3D Q70Z44 3/20 0.42
HTR3C Q8WXA8 3/20 0.42
ALDH1A1 P00352 1/20 0.42
KEAP1 Q14145 1/20 0.42
CYP1A2 P05177 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX5 P09917 1/20 0.40
CYP2C9 P11712 1/20 0.37
CHRNB2 P17787 1/20 0.37
CYP2B6 P20813 1/20 0.37

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
SCHEMBL24405876 0.78 MAP3K5 (0.48) NOTUMMAP3K5HTR3AHTR3EHTR3B
SCHEMBL10685670 0.78 MAP3K5 (0.51) NOTUMMAP3K5ALDH1A1KEAP1MEN1
SCHEMBL15091190 0.78 MAP3K5 (0.51) NOTUMMAP3K5KEAP1
SCHEMBL10691319 0.78 MAP3K5 (0.48) NOTUMMAP3K5KEAP1ALOX5
SCHEMBL31517328 0.76 ALDH1A1 (0.50) NOTUMHTR3AHTR3EHTR3BHTR3D
SCHEMBL10690502 0.74 MAP3K5 (0.45) NOTUMMAP3K5KEAP1KMT2A
SCHEMBL10694005 0.74 NOTUM (0.50) NOTUMMAP3K5HTR3AKEAP1CYP1A2
SCHEMBL10685640 0.74 NOTUM (0.51) NOTUMMAP3K5ALDH1A1KEAP1MEN1
SCHEMBL28969422 0.74 MEN1 (0.48) NOTUMMAP3K5ALDH1A1KEAP1MEN1
SCHEMBL31322950 0.73 NOTUM (0.39) NOTUMMAP3K5HTR3AKEAP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4775762-A INSECTICIDES THE DOW CHEMICAL COMPANY (US) 1988-10-04 US claimed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO disclosed
US-4775762-A INSECTICIDES THE DOW CHEMICAL COMPANY (US) 1988-10-04 US disclosed
US-4775762-A INSECTICIDES THE DOW CHEMICAL COMPANY (US) 1988-10-04 US 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-20100256097-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 NOTUM 4195/4885MAP3K5 31/4885HTR3A 3769/4885

“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.