SCHEMBL17315544

SCHEMBL17315544

Nc1nc(Cl)cc(NCCF)n1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.70
CYP2C19 P33261 1/20 0.70
HRH4 Q9H3N8 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
ALDH1A1 P00352 1/20 0.57
KMT2A Q03164 2/20 0.45
POLA1 P09884 1/20 0.45
TLR8 Q9NR97 1/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.39
OPRK1 P41145 2/20 0.38
OPRM1 P35372 1/20 0.38
HSP90AB1 P08238 1/20 0.38

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
SCHEMBL28265778 0.84 CYP2D6 (0.68) CYP2D6CYP2C19HRH4SMN1; SMN2ALDH1A1
SCHEMBL8597545 0.82 CYP2D6 (0.70) CYP2D6CYP2C19HRH4SMN1; SMN2ALDH1A1
SCHEMBL8053292 0.82 CYP2D6 (1.00) CYP2D6CYP2C19HRH4SMN1; SMN2ALDH1A1
SCHEMBL28845273 0.82 CYP2D6 (0.70) CYP2D6CYP2C19HRH4SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL8049480 0.81 CYP2D6 (0.97) CYP2D6CYP2C19HRH4SMN1; SMN2ALDH1A1
SCHEMBL8600881 0.79 TLR8 (0.69) CYP2D6CYP2C19HRH4SMN1; SMN2ALDH1A1
SCHEMBL8055803 0.79 CYP2D6 (0.81) CYP2D6CYP2C19HRH4SMN1; SMN2ALDH1A1
SCHEMBL3209288 0.78 CYP2D6 (0.64) CYP2D6CYP2C19HRH4SMN1; SMN2ALDH1A1
SCHEMBL11752857 0.78 CYP2D6 (0.64) CYP2D6CYP2C19HRH4SMN1; SMN2ALDH1A1
SCHEMBL8048808 0.78 CYP2D6 (0.79) CYP2D6CYP2C19HRH4SMN1; SMN2ALDH1A1

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 CYP2D6 3393/4885CYP2C19 3609/4885HRH4 1332/4885
US-10632125-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT CYP2D6 3393/4885CYP2C19 3609/4885HRH4 1332/4885
US-20170196873-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS MTHFD1, MTHFD2, TPMT CYP2D6 3393/4885CYP2C19 3609/4885HRH4 1332/4885
US-10064869-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT CYP2D6 3393/4885CYP2C19 3609/4885HRH4 1332/4885

“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.