SCHEMBL10112554

SCHEMBL10112554

Cn1cc(-c2ccc(OC(=O)C(C)(C)C)c(-c3ccc(Br)cc3F)n2)cn1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 0.51
ALPL P05186 1/20 0.38
FGFR1 P11362 5/20 0.38
FGFR2 P21802 5/20 0.38
FGFR3 P22607 5/20 0.38
AXL P30530 3/20 0.37
MERTK Q12866 1/20 0.37
CSF1R P07333 2/20 0.36
PDGFRB P09619 1/20 0.36
CYP2C9 P11712 1/20 0.36
PDGFRA P16234 1/20 0.36
STING1 Q86WV6 1/20 0.35
PIM1 P11309 2/20 0.35
PIM2 Q9P1W9 1/20 0.35
CREBBP Q92793 1/20 0.34
ABL1 P00519 1/20 0.34
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34

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
SCHEMBL10112447 0.86 TNF (0.47) TNFALPLFGFR1FGFR2FGFR3
SCHEMBL10112432 0.80 TNF (0.43) TNFFGFR1FGFR2FGFR3AXL
SCHEMBL10112433 0.79 AXL (0.43) TNFFGFR1FGFR2FGFR3AXL
SCHEMBL18183699 0.72 AXL (0.50) AXLMERTKCYP2C9PIM1CREBBP
SCHEMBL10112442 0.72 TNF (0.47) TNFFGFR1FGFR2FGFR3AXL
SCHEMBL10112438 0.72 TNF (0.48) TNFFGFR1FGFR2FGFR3CSF1R
SCHEMBL20064797 0.66 NTRK1 (0.40) FGFR1FGFR3AXLMERTKPDGFRB
SCHEMBL20064815 0.65 STING1 (0.39) FGFR1FGFR3AXLMERTKPDGFRB
SCHEMBL10112367 0.65 FYN (0.44) TNFFGFR1FGFR2FGFR3AXL
Lithium Ion SCHEMBL30477028 0.64 FYN (0.35) FGFR1FGFR3AXLMERTKPDGFRB

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-8541572-B2 Compounds for the treatment of inflammatory disorders MERCK SHARP & DOHME CORP. (US) 2013-09-24 US disclosed
US-8541572-B2 Compounds for the treatment of inflammatory disorders MERCK SHARP & DOHME CORP. (US) 2013-09-24 US disclosed
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME CORP. 2012-01-12 US disclosed
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME CORP. 2012-01-12 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-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 TNF 1/4885ALPL 189/4885FGFR1 734/4885

“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.