Sugi Predict

Sugi Predict / Compounds / SCHEMBL793282

SCHEMBL793282

SCHEMBL793282

O=c1[nH]ncn1-c1ccc(-c2nnc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 1/20 0.49
▸ HTT P42858 3/20 0.46
▸ MAPT P10636 5/20 0.45
▸ LMNA P02545 1/20 0.44
▸ KDR P35968 8/20 0.43
▸ GAA P10253 1/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ PDE5A O76074 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PDE1A P54750 1/20 0.39
▸ PDE1B Q01064 1/20 0.39
▸ PDE3B Q13370 1/20 0.39

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
SCHEMBL793667 0.85 CA9 (0.48) CA9HTTMAPTLMNAKDR
SCHEMBL787455 0.81 CA9 (0.50) CA9HTTMAPTLMNAKDR
SCHEMBL788084 0.80 CA9 (0.48) CA9MAPTLMNAKDRGAA
SCHEMBL787650 0.80 CA9 (0.55) CA9HTTMAPTLMNAKDR
SCHEMBL787798 0.78 CA9 (0.48) CA9MAPTLMNAKDRGAA
SCHEMBL794154 0.78 MAPT (0.47) CA9MAPTLMNAKDRGAA
SCHEMBL787904 0.77 KDR (0.57) CA9HTTKDRGAANPSR1
SCHEMBL793603 0.76 MAPT (0.47) CA9HTTMAPTLMNAKDR
SCHEMBL787744 0.76 KDR (0.70) CA9HTTKDRALDH1A1POLB
SCHEMBL787771 0.76 MAPT (0.58) CA9HTTMAPTKDRGAA

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 CA9 4203/4885HTT 2086/4885MAPT 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.