SCHEMBL3243767

SCHEMBL3243767

Cc1ccccc1-c1nocc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.47
▸ ADORA2A P29274 1/20 0.44
▸ DPP4 P27487 2/20 0.42
▸ NPC1 O15118 6/20 0.41
▸ RAB9A P51151 6/20 0.41
▸ SMN1; SMN2 Q16637 6/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ CYP3A4 P08684 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ TP53 P04637 2/20 0.37
▸ MAPT P10636 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ APAF1 O14727 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
SCHEMBL11182369 0.78 ESR1 (0.46) LMNAADORA2ANPC1RAB9ASMN1; SMN2
SCHEMBL3243766 0.75 IKBKB (0.44) LMNANPC1RAB9ATDP1HPGD
SCHEMBL10478055 0.74 MEN1 (0.39) LMNANPC1SMN1; SMN2CASP3SENP8
SCHEMBL10191572 0.73 GPBAR1 (0.44) LMNANPC1RAB9ASMN1; SMN2CASP3
SCHEMBL402940 0.73 MCL1 (0.49) LMNANPC1RAB9ASMN1; SMN2CASP3
SCHEMBL4436882 0.68 NOS3 (0.50) LMNAADORA2ACYP3A4TDP1ALDH1A1
SCHEMBL30825494 0.67 RAB9A (0.41) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL15428736 0.67 LMNA (0.44) LMNAADORA2ANPC1RAB9ASMN1; SMN2
SCHEMBL16053280 0.67 ADORA2A (0.44) LMNAADORA2ADPP4NPC1RAB9A
SCHEMBL20247769 0.67 ADORA2A (0.44) LMNAADORA2ADPP4NPC1RAB9A

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-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-08-25 — — US disclosed
EP-2962566-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2016-01-06 — — EP disclosed
EP-2348860-B1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH INC (US) 2015-05-27 — — EP disclosed
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-04-17 — — US disclosed
US-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 — — US disclosed
WO-2010051549-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-05-06 — — 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-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 LMNA 4783/4885ADORA2A 1180/4885DPP4 525/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 LMNA 4783/4885ADORA2A 1180/4885DPP4 525/4885

“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.

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