SCHEMBL794078

SCHEMBL794078

Cc1n[nH]c2cc(-c3nnc(Nc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c4ccccc34)ccc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
CA9 Q16790 3/20 0.46
LMNA P02545 1/20 0.45
GRM4 Q14833 1/20 0.43
GPR174 Q9BXC1 1/20 0.42
ENPP3 O14638 5/20 0.42
KDR P35968 3/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
GAA P10253 1/20 0.40
CA2 P00918 2/20 0.40
MAP2K4 P45985 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
FLT1 P17948 2/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL788182 0.89 KDR (0.48) MAPTCA9LMNAGRM4GPR174
SCHEMBL15077341 0.87 MAPT (0.46) MAPTCA9LMNAGRM4ENPP3
SCHEMBL793720 0.87 MAPT (0.52) MAPTCA9LMNAGRM4GPR174
SCHEMBL798589 0.86 MAPT (0.43) MAPTCA9LMNAGPR174ENPP3
SCHEMBL793766 0.85 MAPT (0.47) MAPTCA9LMNAGRM4GPR174
SCHEMBL793582 0.85 MAPT (0.46) MAPTCA9LMNAGRM4GPR174
SCHEMBL793951 0.83 MAPT (0.49) MAPTCA9LMNAKDRTP53
Trifluoroacetic Acid SCHEMBL15052670 0.82 MAPT (0.42) MAPTCA9LMNAGPR174KDR
SCHEMBL793603 0.81 MAPT (0.47) MAPTCA9LMNAGRM4GPR174
SCHEMBL12476660 0.81 MAPT (0.41) MAPTCA9LMNAGPR174ENPP3

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 7 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
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-2012035549-A2 AN IMPROVED PROCESS FOR THE SYNTHESIS OF BETA AMINO ACID DERIVATIVES PANACEA BIOTEC LTD (IN) 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 MAPT 2899/4885CA9 4203/4885LMNA 4206/4885

“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.