SCHEMBL12987337

SCHEMBL12987337

Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(-c2ccc[n+](COC(=O)C(C)C)c2)n1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 16/20 0.63
ABL1 P00519 9/20 0.63
BCR P11274 6/20 0.63
PDGFRB P09619 6/20 0.63
PRKCA P17252 3/20 0.63
EGFR P00533 1/20 0.63
KIT P10721 6/20 0.55
KDR P35968 2/20 0.52

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
SCHEMBL12987291 0.93 ABL1 (0.60) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL15654456 0.92 PDGFRA (0.61) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL15653665 0.90 PDGFRA (0.62) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL12987184 0.88 ABL1 (0.59) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL12987530 0.87 ABL1 (0.58) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL15653668 0.84 PDGFRA (0.54) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL3048286 0.83 PDGFRA (0.73) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL18210972 0.80 ABL1 (0.69) PDGFRAABL1BCRPDGFRBEGFR
Iodide SCHEMBL15632994 0.80 ABL1 (0.69) PDGFRAABL1BCRPDGFRBEGFR
Iodide SCHEMBL15632996 0.80 ABL1 (0.69) PDGFRAABL1BCRPDGFRBEGFR

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
US-9359376-B2 Substituted methylformyl reagents and method of using same to modify physicochemical and/or pharmacokinetic properties of compounds SPHAERA PHARMA PTE. LTD (SG) 2016-06-07 US claimed
US-20140121367-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS PIVOT HOLDING LLC 2014-05-01 US claimed
EP-2693876-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS Sphaera Pharma Pte. Ltd (SG) 2014-02-12 EP claimed
WO-2012137225-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS SPHAERA PHARMA PVT. LTD (IN) 2012-10-11 WO claimed
US-9359376-B2 Substituted methylformyl reagents and method of using same to modify physicochemical and/or pharmacokinetic properties of compounds SPHAERA PHARMA PTE. LTD (SG) 2016-06-07 US disclosed
US-9359376-B2 Substituted methylformyl reagents and method of using same to modify physicochemical and/or pharmacokinetic properties of compounds SPHAERA PHARMA PTE. LTD (SG) 2016-06-07 US disclosed
US-20140121367-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS PIVOT HOLDING LLC 2014-05-01 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-20140121367-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS TPMT, BHMT2, PFAS PDGFRA 1970/4885ABL1 2560/4885BCR 3848/4885

“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.