SCHEMBL14494692

SCHEMBL14494692

CC(C)OC1CCC(Nc2ccnc(N)n2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.58
▸ MALT1 Q9UDY8 1/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ DEGS1 O15121 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ HRH4 Q9H3N8 4/20 0.40
▸ NUDT1 P36639 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ PIM1 P11309 1/20 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
SCHEMBL14510746 0.85 HRH3 (0.62) HRH3MALT1CYP1A2CYP3A4CYP2D6
SCHEMBL17626757 0.84 HRH3 (0.78) HRH3MALT1CYP1A2CYP3A4CYP2D6
SCHEMBL12693986 0.80 HRH3 (0.68) HRH3MALT1CYP1A2CYP3A4CYP2D6
SCHEMBL12691575 0.80 HRH3 (0.68) HRH3MALT1CYP1A2CYP3A4CYP2D6
SCHEMBL3779493 0.78 HRH3 (0.69) HRH3MALT1CYP1A2CYP3A4CYP2D6
SCHEMBL3779490 0.78 HRH3 (0.69) HRH3MALT1CYP1A2CYP3A4CYP2D6
SCHEMBL31403515 0.78 HRH3 (0.73) HRH3MALT1CYP1A2CYP3A4CYP2D6
SCHEMBL1976461 0.78 HRH3 (0.73) HRH3MALT1CYP1A2CYP3A4CYP2D6
SCHEMBL18072497 0.77 HRH3 (0.68) HRH3MALT1CYP1A2CYP3A4CYP2D6
SCHEMBL18072377 0.74 HRH3 (0.68) HRH3MALT1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921376-B2 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-30 — — US disclosed
US-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-06-14 — — US 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-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase JAK2, JAK1, JAK3 HRH3 3011/4885MALT1 2041/4885CYP1A2 2775/4885

“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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