SCHEMBL700958

SCHEMBL700958

Cc1nc2cc(OCCN3CCOCC3)ccn2c1-c1ccnc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.60
JAK2 O60674 1/20 0.56
BRD4 O60885 1/20 0.54
JAK1 P23458 1/20 0.54
ABL1 P00519 2/20 0.51
BCR P11274 2/20 0.51
IGF1R P08069 1/20 0.48
MAPK14 Q16539 1/20 0.45

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
SCHEMBL703004 0.88 HDAC1 (0.51) HDAC1JAK2BRD4JAK1ABL1
SCHEMBL699060 0.88 HDAC1 (0.61) HDAC1JAK2BRD4JAK1ABL1
SCHEMBL701985 0.88 JAK2 (0.56) HDAC1JAK2IGF1RMAPK14
SCHEMBL12790408 0.88 HDAC1 (0.52) HDAC1JAK2BRD4JAK1MAPK14
SCHEMBL700072 0.87 SYK (0.49) HDAC1JAK2JAK1ABL1BCR
SCHEMBL659880 0.87 HDAC1 (0.54) HDAC1JAK2BRD4JAK1MAPK14
SCHEMBL702867 0.87 HDAC1 (0.58) HDAC1ABL1IGF1R
SCHEMBL699825 0.86 JAK2 (0.69) HDAC1JAK2JAK1IGF1R
SCHEMBL700171 0.85 HDAC1 (0.62) HDAC1JAK2ABL1IGF1R
SCHEMBL703631 0.83 JAK2 (0.57) HDAC1JAK2IGF1RMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US claimed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US claimed
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 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-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC7 HDAC1 1/4885JAK2 745/4885BRD4 70/4885

“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.