SCHEMBL2070672

SCHEMBL2070672

Clc1cnc(Nc2ccc3[nH]ncc3c2)nc1Nc1cc(C2CC2)[nH]n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 17/20 0.68
▸ ULK1 O75385 1/20 0.63
▸ NTRK1 P04629 4/20 0.57
▸ AURKA O14965 2/20 0.57
▸ DAPK3 O43293 2/20 0.57
▸ JAK2 O60674 2/20 0.57
▸ PRKD3 O94806 2/20 0.57
▸ MAP4K4 O95819 2/20 0.57
▸ PAK4 O96013 2/20 0.57
▸ LCK P06239 2/20 0.57
▸ FYN P06241 2/20 0.57
▸ CSF1R P07333 2/20 0.57
▸ RET P07949 2/20 0.57
▸ MET P08581 2/20 0.57
▸ FGFR1 P11362 2/20 0.57
▸ PDGFRA P16234 2/20 0.57
▸ PRKACA P17612 2/20 0.57
▸ FLT1 P17948 2/20 0.57
▸ LTK P29376 2/20 0.57
▸ WEE1 P30291 2/20 0.57

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
SCHEMBL12846046 0.87 ULK1 (0.61) IGF1RULK1
SCHEMBL12784023 0.86 IGF1R (0.61) IGF1RULK1
SCHEMBL12439852 0.84 IGF1R (0.77) IGF1RULK1
SCHEMBL1164159 0.83 NEK1 (0.68) IGF1RULK1KDRGSK3A
SCHEMBL1165068 0.83 IGF1R (0.57) IGF1RULK1
SCHEMBL12878281 0.81 IGF1R (0.79) IGF1RNTRK1DAPK3
SCHEMBL4469873 0.81 IGF1R (1.00) IGF1R
SCHEMBL12430690 0.81 ULK1 (0.93) IGF1RULK1NTRK1AURKAPAK4
SCHEMBL31471788 0.81 ULK1 (0.93) IGF1RULK1NTRK1AURKAPAK4
SCHEMBL12783997 0.80 IGF1R (0.71) IGF1RNTRK1

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 12 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-9422271-B2 Pyrimidine compounds as tuberculosis inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-08-23 — — US disclosed
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-20140249137-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-04 — — US disclosed
US-20140249137-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-04 — — US disclosed
EP-2464641-B1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS VERTEX PHARMA (US) 2014-06-25 — — EP disclosed
EP-2464641-B1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS VERTEX PHARMA (US) 2014-06-25 — — EP disclosed
CN-102656164-A Pyrimidine compounds as tuberculosis inhibitors VERTEX PHARMA 2012-09-05 — — CN disclosed
US-20110053916-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-03 — — US disclosed
US-20110053916-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-03 — — 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 IGF1R 4443/4885ULK1 923/4885NTRK1 4659/4885
US-20110053916-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS TYMS, TYMP, DPYD IGF1R 4443/4885ULK1 923/4885NTRK1 4659/4885

“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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