SCHEMBL5635759

SCHEMBL5635759

COC[C@@H]1CCCN1c1nc(-c2c[nH]c3ncncc23)ncc1F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.41
▸ PIM2 Q9P1W9 2/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ MAP3K12 Q12852 1/20 0.41
▸ ROCK2 O75116 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ CDC42BPB Q9Y5S2 1/20 0.40
▸ ADORA2A P29274 1/20 0.37
▸ CRHR1 P34998 1/20 0.37
▸ ACACB O00763 2/20 0.37
▸ FFAR2 O15552 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
SCHEMBL5635477 1.00 PIM1 (0.41) PIM1PIM2PIM3MAP3K12ROCK2
SCHEMBL5635485 1.00 PIM1 (0.41) PIM1PIM2PIM3MAP3K12ROCK2
SCHEMBL5075238 0.88 CHUK (0.42) ROCK2ROCK1ADORA2A
SCHEMBL5075232 0.88 CHUK (0.42) ROCK2ROCK1ADORA2A
SCHEMBL5078760 0.88 CHUK (0.42) ROCK2ROCK1ADORA2A
SCHEMBL5075075 0.77 RPS6KA5 (0.41) ROCK2ROCK1CDC42BPB
SCHEMBL5635543 0.76 JAK3 (0.42) —
SCHEMBL5635925 0.76 JAK3 (0.42) —
SCHEMBL5635534 0.76 JAK3 (0.42) —
SCHEMBL14236197 0.70 IRAK4 (0.44) ADORA2A

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 9 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-1931674-B1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMA (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-2532667-A1 Deazapurines useful as inhibitors of janus kinases Vertex Pharmaceuticals Incorporated (US) 2012-12-12 — — 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 PIM1 265/4885PIM2 421/4885PIM3 369/4885

“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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