Sugi Predict

Sugi Predict / Compounds / SCHEMBL788175

SCHEMBL788175

SCHEMBL788175

COC(=O)c1ccc(-c2nnc(Nc3cccc(Cl)c3)c3ccccc23)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 12/20 0.78
▸ MAPT P10636 4/20 0.69
▸ HPGD P15428 2/20 0.69
▸ KDM4E B2RXH2 1/20 0.69
▸ PDE5A O76074 1/20 0.69
▸ ALDH1A1 P00352 1/20 0.69
▸ CYP1A2 P05177 1/20 0.69
▸ CYP3A4 P08684 1/20 0.69
▸ CYP2D6 P10635 1/20 0.69
▸ CYP2C9 P11712 1/20 0.69
▸ ALOX15 P16050 1/20 0.69
▸ CYP2C19 P33261 1/20 0.69
▸ PDE1A P54750 1/20 0.69
▸ PDE1B Q01064 1/20 0.69
▸ PDE3B Q13370 1/20 0.69
▸ PDE1C Q14123 1/20 0.69
▸ PDE3A Q14432 1/20 0.69
▸ SMN1; SMN2 Q16637 1/20 0.69
▸ HSD17B10 Q99714 1/20 0.69
▸ MEN1 O00255 2/20 0.55

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
SCHEMBL7914860 0.90 KDR (0.71) KDRMAPTHPGDKDM4EPDE5A
SCHEMBL806103 0.88 KDR (0.78) KDRMAPTHPGDALDH1A1CYP1A2
SCHEMBL806125 0.88 KDR (0.72) KDRMAPTALDH1A1MEN1KMT2A
SCHEMBL806035 0.88 KDR (1.00) KDRMAPTALDH1A1MEN1KMT2A
SCHEMBL7918565 0.88 KDR (0.81) KDRMAPTHPGDKDM4EPDE5A
SCHEMBL806102 0.87 KDR (0.68) KDRMAPTALDH1A1MEN1KMT2A
SCHEMBL788057 0.87 KDR (0.77) KDRMAPTALDH1A1MEN1KMT2A
SCHEMBL788156 0.86 KDR (0.67) KDRMAPTALDH1A1MEN1KMT2A
SCHEMBL787948 0.85 KDR (0.66) KDRMAPTMEN1KMT2ANPSR1
SCHEMBL794208 0.85 KDR (0.79) KDRMAPTMEN1KMT2ANPSR1

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 9 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
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 1782/4885MAPT 2899/4885HPGD 3742/4885

“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.