SCHEMBL2071594

SCHEMBL2071594

C#Cc1c(N)nc(Nc2ccc3[nH]ncc3c2)nc1-c1cc(C2CC2)[nH]n1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 3/20 0.47
▸ CDC7 O00311 2/20 0.39
▸ SYK P43405 1/20 0.39
▸ ROCK2 O75116 7/20 0.38
▸ MAPKAPK2 P49137 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ IGF1R P08069 2/20 0.37
▸ ROCK1 Q13464 2/20 0.37
▸ KDR P35968 1/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.36

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
SCHEMBL2071141 0.88 ULK1 (0.44) ULK1CDC7SYKROCK2MAPKAPK2
SCHEMBL4952013 0.81 ULK1 (0.51) ULK1CDC7SYKROCK2MAPKAPK2
SCHEMBL5069231 0.76 CDC7 (0.42) ULK1CDC7SYKIGF1R
SCHEMBL12784023 0.72 IGF1R (0.61) ULK1IGF1R
SCHEMBL12430952 0.69 IGF1R (0.67) ULK1IGF1R
SCHEMBL1164159 0.68 NEK1 (0.68) ULK1CDC7IGF1RKDR
SCHEMBL14723530 0.68 CLK1 (0.43) IGF1RKDR
SCHEMBL12430690 0.67 ULK1 (0.93) ULK1ROCK2IGF1R
SCHEMBL31471788 0.67 ULK1 (0.93) ULK1ROCK2IGF1R
SCHEMBL2070672 0.66 IGF1R (0.68) ULK1IGF1RROCK1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422271-B2 Pyrimidine compounds as tuberculosis inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-08-23 — — US disclosed
US-20140249137-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-04 — — US disclosed
US-20110053916-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-03 — — 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 (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-20140249137-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS TYMS, TYMP, DPYD ULK1 923/4885CDC7 324/4885SYK 2685/4885
US-20110053916-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS TYMS, TYMP, DPYD ULK1 923/4885CDC7 324/4885SYK 2685/4885

“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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