SCHEMBL913766

SCHEMBL913766

CSc1ncc(C(N)=O)c(NC2(c3ccccc3)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VNN1 O95497 1/20 0.43
▸ HDAC3 O15379 4/20 0.42
▸ HDAC1 Q13547 4/20 0.42
▸ HDAC2 Q92769 4/20 0.42
▸ HDAC6 Q9UBN7 4/20 0.42
▸ THRB P10828 1/20 0.40
▸ SYK P43405 2/20 0.40
▸ RXFP1 Q9HBX9 3/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HDAC4 P56524 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 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
SCHEMBL912387 0.91 VNN1 (0.44) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL913700 0.84 ALDH1A1 (0.58) SYKALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL914058 0.80 VNN1 (0.41) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL1313173 0.78 MAPK8 (0.58) SYKMAPK8ALDH1A1MAPTSMN1; SMN2
SCHEMBL3723039 0.77 VNN1 (0.47) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL13735566 0.76 MAPK8 (0.57) SYKMAPK8ALDH1A1
SCHEMBL913839 0.75 EGFR (0.57) SYKMAPK8
SCHEMBL14657040 0.75 NNMT (0.41) SYKALDH1A1MAPTSMN1; SMN2
SCHEMBL12904539 0.75 STAT6 (0.58) THRBSYK
SCHEMBL13733572 0.74 MAPK8 (0.50) SYKMAPK8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 — — US disclosed
US-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 — — US disclosed
US-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 — — US disclosed
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 — — US disclosed
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 — — US disclosed
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 — — US disclosed
US-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 — — US disclosed
US-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 — — US disclosed
US-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 — — US disclosed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 — — US disclosed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 — — US disclosed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 — — US disclosed
WO-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 — — 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-20130137673-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 VNN1 4715/4885HDAC3 1998/4885HDAC1 1825/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 VNN1 4715/4885HDAC3 1998/4885HDAC1 1825/4885

“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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