SCHEMBL787811

SCHEMBL787811

COC(=O)c1ccc(-c2nnc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc23)s1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.45
MAPT P10636 3/20 0.41
FLT1 P17948 2/20 0.41
CA9 Q16790 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PRNP P04156 1/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL15052193 0.91 ALDH1A1 (0.43) KDRMAPTFLT1CA9
SCHEMBL797315 0.90 NSD2 (0.44) KDRMAPTFLT1CA9KMT2A
SCHEMBL787384 0.81 KDR (0.67) KDRMAPTCA9MEN1KMT2A
SCHEMBL787818 0.79 KDR (0.43) KDRMAPTFLT1CA9MEN1
SCHEMBL787702 0.77 KDR (0.51) KDRMAPTFLT1CA9MEN1
SCHEMBL788177 0.77 KDR (0.51) KDRMAPTCA9MEN1KMT2A
SCHEMBL787774 0.77 KDR (0.65) KDRMAPTCA9MEN1KMT2A
SCHEMBL787781 0.77 KDR (0.53) KDRMAPTCA9MEN1KMT2A
SCHEMBL788206 0.77 KDR (0.62) KDRMAPTFLT1CA9MEN1
SCHEMBL788119 0.77 KDR (0.70) KDRMAPTCA9MEN1KMT2A

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 8 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
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 2899/4885FLT1 696/4885

“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.