SCHEMBL1828082

SCHEMBL1828082

Cc1cnccc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 1/20 0.48
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
P2RX1 P51575 1/20 0.48
CSF1R P07333 2/20 0.46
BRAF P15056 1/20 0.46
NPC1 O15118 1/20 0.46
GMNN O75496 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
HTR1A P08908 1/20 0.46
THRB P10828 1/20 0.46
PIM1 P11309 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAOA P21397 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2A P28223 1/20 0.46

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
SCHEMBL16363183 0.90 S1PR1 (0.46) TYK2P2RX1BRAFTRPV1STIM1
SCHEMBL1826150 0.88 JAK2 (0.58) IL2JAK2JAK1TYK2P2RX1
SCHEMBL1828111 0.88 STIM1 (0.55) IL2JAK2JAK1TYK2P2RX1
SCHEMBL8297621 0.84 RXFP1 (0.57) IL2P2RX1NPC1LMNATP53
SCHEMBL2784670 0.82 IL2 (0.44) IL2BRAFCYP1A2HTR2ATRPV1
SCHEMBL16363186 0.81 STIM1 (0.57) P2RX1TRPV1STIM1ORAI1
SCHEMBL1826746 0.81 RAB9A (0.73) IL2CSF1RBRAFNPC1GMNN
SCHEMBL1828980 0.81 TRPV1 (0.57) TRPV1
SCHEMBL1827094 0.81 IL2 (0.50) IL2P2RX1SMN1; SMN2TRPV1
SCHEMBL13838606 0.80 JAK2 (0.58) IL2JAK2JAK1TYK2P2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2015-01-01 US disclosed
US-20140107134-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-04-17 US disclosed
EP-2319516-A1 Compounds for treating inflammatory and autoimmune disorders Synta Pharmaceuticals Corp. (US) 2011-05-11 EP disclosed
EP-2319516-A1 Compounds for treating inflammatory and autoimmune disorders Synta Pharmaceuticals Corp. (US) 2011-05-11 EP 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 (2 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-20140107134-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 IL2 27/4885JAK2 1347/4885JAK1 1163/4885
US-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 IL2 27/4885JAK2 1347/4885JAK1 1163/4885

“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.