SCHEMBL787717

SCHEMBL787717

COC(=O)c1ccc(-c2nnc(Cl)c3ccccc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.66
MAPK1 P28482 1/20 0.59
ALDH1A1 P00352 2/20 0.56
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAP2K4 P45985 1/20 0.49
GPR84 Q9NQS5 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TNKS O95271 2/20 0.46
TSHR P16473 1/20 0.46
PTPN1 P18031 1/20 0.43

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
SCHEMBL806035 0.80 KDR (1.00) KDRALDH1A1MEN1KMT2A
SCHEMBL788175 0.77 KDR (0.78) KDRALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL1396133 0.77 NPSR1 (0.57) KDRMAPK1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL31359827 0.77 NPSR1 (0.57) KDRMAPK1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL15077148 0.76 KDR (0.81) KDRALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL7904780 0.75 ALDH1A1 (0.60) MAPK1ALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL31359722 0.74 KMT2A (0.57) KDRALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL1396090 0.74 KMT2A (0.57) KDRALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL580414 0.74 MAPT (0.49) MAPK1ALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL29537275 0.74 MAPT (0.49) MAPK1ALDH1A1HPGDSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616443-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS Exelixis, Inc. (US) 2013-07-24 EP disclosed
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 US disclosed
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 US disclosed
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 US disclosed
WO-2012037132-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS EXELIXIS, INC. (US) 2012-03-22 WO disclosed
WO-2012037132-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS EXELIXIS, INC. (US) 2012-03-22 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 (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-20130165440-A1 JAK1 Inhibitors JAK1, JAK2, JAK3 KDR 1782/4885MAPK1 51/4885ALDH1A1 1886/4885

“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.