SCHEMBL5075075

SCHEMBL5075075

Fc1cnc(-c2c[nH]c3ncncc23)nc1N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA5 O75582 1/20 0.41
▸ LRRK2 Q5S007 6/20 0.40
▸ FLT3 P36888 2/20 0.39
▸ STK3 Q13188 2/20 0.39
▸ CDC7 O00311 1/20 0.39
▸ ROS1 P08922 1/20 0.39
▸ KIT P10721 1/20 0.39
▸ MARK3 P27448 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ MAP2K1 Q02750 1/20 0.39
▸ MAP3K10 Q02779 1/20 0.39
▸ MELK Q14680 1/20 0.39
▸ MARK4 Q96L34 1/20 0.39
▸ CAMKK2 Q96RR4 1/20 0.39
▸ SIK2 Q9H0K1 1/20 0.39
▸ CAMK2A Q9UQM7 1/20 0.39
▸ JAK3 P52333 2/20 0.39
▸ ROCK2 O75116 3/20 0.38
▸ ROCK1 Q13464 3/20 0.38
▸ CDC42BPB Q9Y5S2 2/20 0.38

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
SCHEMBL14236254 0.83 LATS1 (0.41) RPS6KA5LRRK2FLT3STK3CDC7
SCHEMBL5075238 0.79 CHUK (0.42) FLT3ROCK2ROCK1PIK3CDJAK2
SCHEMBL5078760 0.79 CHUK (0.42) FLT3ROCK2ROCK1PIK3CDJAK2
SCHEMBL5075232 0.79 CHUK (0.42) FLT3ROCK2ROCK1PIK3CDJAK2
SCHEMBL14236575 0.79 ROCK2 (0.44) RPS6KA5LRRK2FLT3STK3CDC7
SCHEMBL14236205 0.78 RPS6KA5 (0.47) RPS6KA5FLT3CDC7ROCK2ROCK1
SCHEMBL14237803 0.77 RPS6KA5 (0.46) RPS6KA5FLT3CDC7ROCK2ROCK1
SCHEMBL5635485 0.77 PIM1 (0.41) ROCK2ROCK1CDC42BPB
SCHEMBL5635759 0.77 PIM1 (0.41) ROCK2ROCK1CDC42BPB
SCHEMBL5635477 0.77 PIM1 (0.41) ROCK2ROCK1CDC42BPB

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-8580802-B2 Pyrrolo[2,3-D]pyrimidines as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-12 — — US disclosed
US-8580802-B2 Pyrrolo[2,3-D]pyrimidines as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-12 — — US disclosed
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-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
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 RPS6KA5 360/4885LRRK2 1713/4885FLT3 92/4885

“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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