SCHEMBL17618385

SCHEMBL17618385

Cn1cc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3CC[C@H]2C3)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.41
▸ SCD O00767 3/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ KIT P10721 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ TYK2 P29597 1/20 0.39
▸ IDH2 P48735 3/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ NPY2R P49146 1/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ DDR2 Q16832 1/20 0.38
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CLK2 P49760 4/20 0.37

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
SCHEMBL17618372 0.95 IDH2 (0.40) MAPTCSF1RKITMEN1ALDH1A1
SCHEMBL17618783 0.89 MEN1 (0.47) MAPTKITMEN1ALDH1A1KMT2A
SCHEMBL17618348 0.88 IDH2 (0.45) MAPTMEN1ALDH1A1KMT2AIDH2
SCHEMBL17618472 0.88 IRAK4 (0.42) KITNTRK1KCNH2
SCHEMBL17618358 0.88 RPS6KB1 (0.40) MAPTKITMEN1ALDH1A1KMT2A
SCHEMBL17618429 0.88 LRRK2 (0.40) MAPTSCDMEN1KMT2AJAK2
SCHEMBL17618414 0.87 MAPT (0.40) MAPTSCDCSF1RKITMEN1
SCHEMBL17618902 0.87 CA2 (0.42) MAPTMEN1ALDH1A1KMT2AJAK2
SCHEMBL17618906 0.87 CA2 (0.42) MAPTMEN1ALDH1A1KMT2AJAK2
SCHEMBL17618417 0.87 KMT2A (0.39) MAPTCSF1RKITMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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 (3 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAPT 303/4885SCD 928/4885CSF1R 2210/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAPT 267/4885SCD 1014/4885CSF1R 2306/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 MAPT 267/4885SCD 1014/4885CSF1R 2306/4885

“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.

Send feedback