SCHEMBL2497917

SCHEMBL2497917

O=C(Nc1ccc(Cl)c(C(=O)O)c1)c1cc(C(F)(F)F)ccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.58
JAK1 P23458 1/20 0.58
TYK2 P29597 1/20 0.58
TRPV1 Q8NER1 1/20 0.54
TLR8 Q9NR97 1/20 0.52
PPARG P37231 2/20 0.52
PPARA Q07869 1/20 0.52
NR1H4 Q96RI1 1/20 0.52
SORT1 Q99523 3/20 0.50
CSF1R P07333 2/20 0.50
TMPRSS4 Q9NRS4 2/20 0.50
P2RX1 P51575 1/20 0.50
P2RX4 Q99571 1/20 0.50
P2RX7 Q99572 1/20 0.50
PDGFRB P09619 1/20 0.50
FGFR1 P11362 1/20 0.50
CYP2C9 P11712 1/20 0.50
BRAF P15056 1/20 0.50
EPHB4 P54760 1/20 0.50
PTK2 Q05397 1/20 0.50

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
SCHEMBL2944551 0.85 SORT1 (0.56) PPARGPPARANR1H4SORT1CSF1R
SCHEMBL2494946 0.84 PPARG (0.62) JAK2JAK1TYK2TRPV1PPARG
SCHEMBL30868543 0.82 P2RX1 (0.61) JAK2JAK1TYK2TRPV1TLR8
SCHEMBL5437515 0.81 TLR8 (0.55) JAK2JAK1TYK2TLR8SORT1
SCHEMBL78221 0.81 MRGPRX4 (0.61) JAK2JAK1TYK2TRPV1SORT1
SCHEMBL27315886 0.80 KMT2A (0.64) PPARGPPARANR1H4ACLYNPC1
SCHEMBL2497820 0.80 CSF1R (0.70) JAK2CSF1RP2RX1PDGFRBFGFR1
Hydrochloric Acid SCHEMBL18861026 0.79 MRGPRX4 (0.59) JAK2JAK1TYK2TRPV1SORT1
SCHEMBL27728310 0.79 CSF1R (0.64) JAK2TLR8PPARGPPARANR1H4
SCHEMBL17664550 0.78 TLR8 (0.54) JAK2JAK1TYK2TLR8SORT1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US 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-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS KDR, FLT4, FLT1 JAK2 39/4885JAK1 78/4885TYK2 17/4885

“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.