SCHEMBL788048

SCHEMBL788048

COC(=O)c1ccc(-c2nnc(Nc3cc(NCCCN(C)C)cc(C(F)(F)F)c3)c3ccccc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.55
MAPT P10636 4/20 0.46
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
CA9 Q16790 1/20 0.43
KLK7 P49862 1/20 0.42
KLK14 Q9P0G3 1/20 0.42

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
SCHEMBL787834 0.95 KDR (0.56) KDRMAPTTP53SMN1; SMN2MEN1
SCHEMBL12475229 0.92 KDR (0.48) KDRMAPTTP53SMN1; SMN2MEN1
SCHEMBL15052031 0.89 KDR (0.54) KDRMAPTTP53MEN1KMT2A
Hydrochloric Acid SCHEMBL788120 0.89 KDR (0.53) KDRMAPTTP53MEN1KMT2A
SCHEMBL788232 0.87 KDR (0.56) KDRMAPTTP53SMN1; SMN2MEN1
SCHEMBL787384 0.87 KDR (0.67) KDRMAPTTP53MEN1KMT2A
SCHEMBL15052498 0.86 KDR (0.49) KDRMAPTTP53SMN1; SMN2MEN1
SCHEMBL787620 0.86 KDR (0.56) KDRMAPTTP53SMN1; SMN2MEN1
SCHEMBL787627 0.85 KDR (0.57) KDRMAPTTP53SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL788364 0.85 KDR (0.56) KDRMAPTTP53SMN1; 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 claimed
WO-2012037132-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS EXELIXIS, INC. (US) 2012-03-22 WO claimed
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

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 1782/4885MAPT 2899/4885TP53 2075/4885

“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.