SCHEMBL17315549

SCHEMBL17315549

COc1cc(C)c(NCCN)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.44
FERMT2 Q96AC1 4/20 0.43
SUV39H2 Q9H5I1 3/20 0.41
LOX P28300 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
CYP2A6 P11509 1/20 0.36
PDE5A O76074 2/20 0.35
BCDIN3D Q7Z5W3 1/20 0.34
PDE6A P16499 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
TNIK Q9UKE5 1/20 0.33
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
ERN1 O75460 1/20 0.33
RPS6KA4 O75676 1/20 0.33
PRKD3 O94806 1/20 0.33
CDK1 P06493 1/20 0.33
KIT P10721 1/20 0.33
CDK11B P21127 1/20 0.33

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
SCHEMBL25882888 0.75 NNMT (0.47) NNMTCYP2A6TNIKP2RX7
SCHEMBL16492683 0.72 TNIK (0.47) NNMTTNIK
SCHEMBL19782405 0.71 NNMT (0.51) NNMTCYP2A6TNIK
SCHEMBL21327094 0.70 NNMT (0.50) NNMTLOXLOXL2CYP2A6
SCHEMBL4574251 0.70 KMT2A (0.53) NNMTBCDIN3D
SCHEMBL3932458 0.70 NNMT (0.54) NNMTTNIKP2RX7
SCHEMBL19303539 0.70 HPGD (0.45) NNMTTNIKTYK2
SCHEMBL15286371 0.69 NNMT (0.42) NNMTFERMT2BCDIN3DHSP90AA1HSP90AB1
SCHEMBL8031011 0.69 SUV39H2 (0.42) FERMT2SUV39H2
SCHEMBL19780075 0.69 NNMT (0.53) NNMTTNIK

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-10632125-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2020-04-28 US disclosed
US-20190000856-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS THOMAS HELLEDAYS STIFTELSE FOER MEDICINSK FORSKNING (SE) 2019-01-03 US disclosed
US-10064869-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2018-09-04 US disclosed
US-20170196873-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2017-07-13 US disclosed
EP-3151833-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS Thomas Helledays Stiftelse För Medicinsk Forskning (SE) 2017-04-12 EP disclosed
WO-2015187089-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2015-12-10 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 (4 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-20190000856-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS MTHFD1, MTHFD2, TPMT NNMT 251/4885FERMT2 2849/4885SUV39H2 1663/4885
US-10632125-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT NNMT 251/4885FERMT2 2849/4885SUV39H2 1663/4885
US-20170196873-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS MTHFD1, MTHFD2, TPMT NNMT 251/4885FERMT2 2849/4885SUV39H2 1663/4885
US-10064869-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT NNMT 251/4885FERMT2 2849/4885SUV39H2 1663/4885

“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.