SCHEMBL12475263

SCHEMBL12475263

CC(C)(C)c1cccc(Nc2nnc(-c3ccc(C(=O)O)cc3)c3ccccc23)c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.82
NPSR1 Q6W5P4 2/20 0.55
MAPT P10636 2/20 0.55
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
PDE5A O76074 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
CYP2C19 P33261 1/20 0.53
PDE1A P54750 1/20 0.53
PDE1B Q01064 1/20 0.53
PDE3B Q13370 1/20 0.53
PDE1C Q14123 1/20 0.53
PDE3A Q14432 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL794208 0.89 KDR (0.79) KDRNPSR1MAPTKLK7KLK14
SCHEMBL7904950 0.89 KDR (0.66) KDRNPSR1MAPTALDH1A1KDM4E
SCHEMBL7912029 0.85 NPSR1 (0.72) KDRNPSR1ALDH1A1KDM4EKLK7
SCHEMBL7918565 0.83 KDR (0.81) KDRNPSR1MAPTALDH1A1KDM4E
SCHEMBL788164 0.83 KDR (0.81) KDRNPSR1MAPTALDH1A1KDM4E
SCHEMBL15052558 0.83 KDR (0.61) KDRNPSR1MAPTALDH1A1KDM4E
SCHEMBL15052542 0.83 KDR (0.61) KDRNPSR1MAPTALDH1A1KDM4E
SCHEMBL787904 0.82 KDR (0.57) KDRNPSR1ALDH1A1KLK7KLK14
SCHEMBL15052460 0.80 KDR (0.57) KDRNPSR1MAPTALDH1A1KDM4E
SCHEMBL15052555 0.80 KDR (0.58) KDRNPSR1MAPTALDH1A1KLK7

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
EP-2616443-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS Exelixis, Inc. (US) 2013-07-24 EP claimed
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 US claimed
WO-2012037132-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS EXELIXIS, INC. (US) 2012-03-22 WO claimed

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 1782/4885NPSR1 3808/4885MAPT 2899/4885

“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.