SCHEMBL4537708

SCHEMBL4537708

CC(C)Nc1ccnc(OP(=O)(O)O)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 9/20 0.44
▸ FLT3 P36888 1/20 0.37
▸ MAPK8 P45983 4/20 0.37
▸ HCAR3 P49019 1/20 0.36
▸ FDFT1 P37268 1/20 0.35
▸ ABL1 P00519 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ MAP2K2 P36507 1/20 0.33
▸ CDK7 P50613 1/20 0.33
▸ HTR7 P34969 1/20 0.32
▸ HPGDS O60760 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32

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
SCHEMBL26573670 0.77 FLT3 (0.39) FDPSFLT3MAPK8HCAR3
SCHEMBL2844731 0.71 ABL1 (0.52) FLT3MAPK8ABL1LCKCSF1R
SCHEMBL29256022 0.70 BLM (0.37) —
SCHEMBL7987681 0.70 HRH3 (0.40) FLT3MAPK8HTR7
Carbamic Acid SCHEMBL2847023 0.69 ABL1 (0.48) FLT3MAPK8HCAR3ABL1LCK
SCHEMBL15357779 0.68 FLT3 (0.41) FLT3MAPK8HCAR3ABL1LCK
SCHEMBL1967684 0.66 SRC (0.44) FDPS
SCHEMBL12356602 0.66 FLT3 (0.40) FLT3MAPK8HCAR3ABL1LCK
SCHEMBL10212545 0.66 HRH4 (0.55) HRH4
SCHEMBL1774897 0.66 GAA (0.42) FLT3MAPK8HCAR3ABL1LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES AG (AT) 2014-11-27 — — US disclosed
EP-2674161-A1 FMO3 inhibitors for treating pain Akron Molecules GmbH (AT) 2013-12-18 — — EP disclosed
US-20130252924-A1 Compounds and Methods for Treating Pain AKRON MOLECULES GMBH (AT) 2013-09-26 — — US disclosed
EP-2637649-A2 COMPOUNDS AND METHODS FOR TREATING PAIN Akron Molecules GmbH (AT) 2013-09-18 — — EP disclosed
WO-2012062925-A2 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES GMBH (AT) 2012-05-18 — — 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 (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-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN TRPV1, ACHE, OPRL1 FDPS 736/4885FLT3 2439/4885MAPK8 3552/4885
US-20130252924-A1 Compounds and Methods for Treating Pain TRPV1, ACHE, OPRL1 FDPS 736/4885FLT3 2439/4885MAPK8 3552/4885

“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.

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