SCHEMBL12475154

SCHEMBL12475154

Nc1cc(NC(=O)O)cc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.56
P2RX1 P51575 6/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
IKBKE Q14164 1/20 0.47
TACR1 P25103 2/20 0.46
PTGS1 P23219 2/20 0.45
ACP1 P24666 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TMPRSS4 Q9NRS4 1/20 0.43
P2RX4 Q99571 1/20 0.43
P2RX7 Q99572 1/20 0.43
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL5833345 0.87 GPR35 (0.66) GPR35P2RX1MAPTLMNATACR1
Fluoride SCHEMBL11788456 0.85 GPR35 (0.63) GPR35P2RX1MAPTLMNATACR1
SCHEMBL5108428 0.84 GPR35 (0.50) GPR35P2RX1MAPTLMNAIKBKE
SCHEMBL16904552 0.84 MAPT (0.53) GPR35P2RX1MAPTLMNAIKBKE
SCHEMBL16829450 0.82 NR1I2 (0.43) GPR35MAPTALDH1A1RAB9A
SCHEMBL10007199 0.80 DDX3X (0.43) MAPTLMNAALDH1A1MEN1HTT
SCHEMBL20568446 0.80 ALDH1A1 (0.54) GPR35P2RX1MAPTLMNATACR1
SCHEMBL15542449 0.80 TGM2 (0.59) GPR35P2RX1MAPTLMNAIKBKE
SCHEMBL25797243 0.80 LMNA (0.53) GPR35P2RX1MAPTLMNAIKBKE
SCHEMBL3620508 0.80 GPR35 (0.58) GPR35P2RX1MAPTLMNATACR1

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
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
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 GPR35 1636/4885P2RX1 1196/4885MAPT 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.