SCHEMBL787451

SCHEMBL787451

O=C(O)c1ccc(-c2ncc(Nc3cccc(C(F)(F)F)c3)c3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.51
AKR1C3 P42330 2/20 0.50
AKR1C2 P52895 2/20 0.50
MAPT P10636 1/20 0.49
CSNK2A1 P68400 3/20 0.48
CSNK2A2 P19784 1/20 0.48
CSNK2B P67870 1/20 0.48
MPO P05164 4/20 0.47
PTK6 Q13882 1/20 0.47
TEAD4 Q15561 2/20 0.47
MEN1 O00255 1/20 0.47
GMNN O75496 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TTR P02766 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47

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
SCHEMBL787767 0.89 MAPK1 (0.51) AURKAAKR1C3AKR1C2MAPTPTK6
SCHEMBL7904950 0.82 KDR (0.66) MAPTCSNK2A1ALDH1A1LMNACYP1A2
SCHEMBL15052604 0.81 RXRA (0.49) AKR1C3AKR1C2PTGER4
SCHEMBL787562 0.76 LMNA (0.56) AURKAMAPTCSNK2A1CSNK2A2CSNK2B
SCHEMBL15052797 0.76 LMNA (0.56) AURKAMAPTCSNK2A1CSNK2A2CSNK2B
SCHEMBL15052803 0.76 CSNK2A1 (0.63) AURKAMAPTCSNK2A1CSNK2A2CSNK2B
SCHEMBL365112 0.75 AKR1C3 (0.68) AURKAAKR1C3AKR1C2MAPTMPO
SCHEMBL23847681 0.73 KDM4E (0.69) AURKAAKR1C3AKR1C2MAPTCSNK2A1
SCHEMBL12697330 0.73 MPO (0.67) AKR1C3AKR1C2MAPTMPOTEAD4
SCHEMBL787904 0.73 KDR (0.57) MEN1ALDH1A1KMT2APOLBHTT

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
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 US claimed
EP-2616443-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS Exelixis, Inc. (US) 2013-07-24 EP 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 AURKA 341/4885AKR1C3 3184/4885AKR1C2 2422/4885

“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.