SCHEMBL4423914

SCHEMBL4423914

Nc1cnn(Cc2c(F)cccc2C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
ALDH1A1 P00352 2/20 0.57
PKM P14618 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
LMNA P02545 1/20 0.48
STIM1 Q13586 1/20 0.46
ORAI1 Q96D31 1/20 0.46
KLKB1 P03952 4/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA5A P35218 1/20 0.40
JAK2 O60674 4/20 0.39
JAK3 P52333 4/20 0.39
JAK1 P23458 3/20 0.39
TYK2 P29597 1/20 0.39
GNRHR P30968 4/20 0.38
CYP3A4 P08684 2/20 0.38
FABP4 P15090 1/20 0.37
KCNH2 Q12809 1/20 0.35

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 SCHEMBL2722945 0.99 MAPT (0.56) MAPTALDH1A1PKML3MBTL1LMNA
SCHEMBL15163843 0.81 MAPT (0.61) MAPTALDH1A1PKML3MBTL1LMNA
SCHEMBL17166117 0.79 ALDH1A1 (0.67) MAPTALDH1A1PKML3MBTL1LMNA
SCHEMBL21523663 0.78 ALDH1A1 (0.66) MAPTALDH1A1PKML3MBTL1LMNA
SCHEMBL4430476 0.78 POLB (0.44) MAPTALDH1A1LMNASTIM1ORAI1
SCHEMBL4425839 0.74 STIM1 (0.65) MAPTALDH1A1STIM1ORAI1KLKB1
SCHEMBL2720956 0.74 STIM1 (0.50) STIM1ORAI1KLKB1CA5AJAK2
SCHEMBL15520765 0.73 ALDH1A1 (1.00) MAPTALDH1A1PKML3MBTL1LMNA
SCHEMBL18393799 0.72 MAPT (0.40) MAPTALDH1A1PKML3MBTL1LMNA
SCHEMBL21523604 0.72 MAPT (0.55) MAPTALDH1A1PKML3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156791-B2 Pyrazole compounds acting against allergic, immune and inflammatory conditions GLAXO GROUP LIMITED (GB) 2015-10-13 US disclosed
US-9156791-B2 Pyrazole compounds acting against allergic, immune and inflammatory conditions GLAXO GROUP LIMITED (GB) 2015-10-13 US disclosed
US-9149462-B2 Pyrazole compounds acting against allergic, inflammatory and immune disorders GLAXO GROUP LIMITED (GB) 2015-10-06 US disclosed
US-9149462-B2 Pyrazole compounds acting against allergic, inflammatory and immune disorders GLAXO GROUP LIMITED (GB) 2015-10-06 US disclosed
EP-2630126-B1 PYRAZOLE COMPOUNDS ACTING AGAINST ALLERGIC, IMMUNE AND INFLAMMATORY CONDITIONS GLAXO GROUP LTD (GB) 2015-01-07 EP disclosed
US-20130217658-A1 PYRAZOLE COMPOUNDS ACTING AGAINST ALLERGIC, INFLAMMATORY AND IMMUNE DISORDERS GLAXO GROUP LIMITED (GB) 2013-08-22 US disclosed
US-20130217658-A1 PYRAZOLE COMPOUNDS ACTING AGAINST ALLERGIC, INFLAMMATORY AND IMMUNE DISORDERS GLAXO GROUP LIMITED (GB) 2013-08-22 US disclosed
US-20130203705-A1 Pyrazole Compounds Acting Against Allergic, Immune and Inflammatory Conditions GLAXO GROUP LIMITED (GB) 2013-08-08 US disclosed
US-20130203705-A1 Pyrazole Compounds Acting Against Allergic, Immune and Inflammatory Conditions GLAXO GROUP LIMITED (GB) 2013-08-08 US disclosed
WO-2012052459-A1 PYRAZOLE COMPOUNDS ACTING AGAINST ALLERGIC, INFLAMMATORY AND IMMUNE DISORDERS GLAXO GROUP LIMITED (GB) 2012-04-26 WO disclosed
WO-2012052458-A1 PYRAZOLE COMPOUNDS ACTING AGAINST ALLERGIC, IMMUNE AND INFLAMMATORY CONDITIONS GLAXO GROUP LIMITED (GB) 2012-04-26 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 (2 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-20130203705-A1 Pyrazole Compounds Acting Against Allergic, Immune and Inflammatory Conditions NLRP3, IL33, IL5 MAPT 979/4885ALDH1A1 991/4885PKM 1119/4885
US-20130217658-A1 PYRAZOLE COMPOUNDS ACTING AGAINST ALLERGIC, INFLAMMATORY AND IMMUNE DISORDERS NLRP3, IL33, IL5 MAPT 1522/4885ALDH1A1 814/4885PKM 1191/4885

“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.