SCHEMBL5075238

SCHEMBL5075238

OCC1CCCN1c1nc(-c2c[nH]c3ncncc23)ncc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 2/20 0.42
▸ GUCY1B2 O75343 1/20 0.39
▸ GUCY1A2 P33402 1/20 0.39
▸ GUCY1A1 Q02108 1/20 0.39
▸ GUCY1B1 Q02153 1/20 0.39
▸ IRAK4 Q9NWZ3 2/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ PIK3CD O00329 2/20 0.37
▸ JAK2 O60674 2/20 0.37
▸ ROCK2 O75116 2/20 0.37
▸ SRC P12931 2/20 0.37
▸ PRKACA P17612 2/20 0.37
▸ KDR P35968 2/20 0.37
▸ FLT3 P36888 2/20 0.37
▸ PIK3CG P48736 2/20 0.37
▸ GSK3A P49840 2/20 0.37
▸ GSK3B P49841 2/20 0.37
▸ PLK1 P53350 2/20 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
SCHEMBL5078760 1.00 CHUK (0.42) CHUKGUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL5075232 1.00 CHUK (0.42) CHUKGUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL5635477 0.88 PIM1 (0.41) ADORA2AROCK2ROCK1
SCHEMBL5635759 0.88 PIM1 (0.41) ADORA2AROCK2ROCK1
SCHEMBL5635485 0.88 PIM1 (0.41) ADORA2AROCK2ROCK1
SCHEMBL14236197 0.80 IRAK4 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1IRAK4
SCHEMBL5635534 0.80 JAK3 (0.42) JAK2
SCHEMBL5635925 0.80 JAK3 (0.42) JAK2
SCHEMBL5635543 0.80 JAK3 (0.42) JAK2
SCHEMBL5075075 0.79 RPS6KA5 (0.41) PIK3CDJAK2ROCK2SRCPRKACA

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-8580802-B2 Pyrrolo[2,3-D]pyrimidines as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-12 — — US disclosed
EP-2532667-A1 Deazapurines useful as inhibitors of janus kinases Vertex Pharmaceuticals Incorporated (US) 2012-12-12 — — EP disclosed
EP-1931674-B1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMA (US) 2012-12-12 — — EP disclosed
EP-1931674-A2 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES Vertex Pharmceuticals Incorporated (US) 2008-06-18 — — EP disclosed
US-20070207995-A1 Deazapurines useful as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-09-06 — — US disclosed
WO-2007041130-A2 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-12 — — 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-20070207995-A1 Deazapurines useful as inhibitors of Janus kinases JAK1, JAK3, JAK2 CHUK 62/4885GUCY1B2 2133/4885GUCY1A2 2412/4885

“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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