SCHEMBL20812238

SCHEMBL20812238

COc1ccc(-c2cn(C(C)(C)C)nn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 2/20 0.55
▸ HSP90AB1 P08238 2/20 0.55
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ PTGS2 P35354 4/20 0.48
▸ PTGS1 P23219 1/20 0.48
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA5A P35218 1/20 0.47
▸ CA5B Q9Y2D0 1/20 0.47
▸ ALDH1A3 P47895 1/20 0.46
▸ SCN5A Q14524 1/20 0.46
▸ DPP4 P27487 1/20 0.45
▸ NLRP3 Q96P20 1/20 0.45
▸ CYP1B1 Q16678 1/20 0.44
▸ GBA1 P04062 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ HDAC3 O15379 1/20 0.43

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
SCHEMBL20995348 0.89 HSP90AA1 (0.54) HSP90AA1HSP90AB1MEN1KMT2ANPC1
SCHEMBL20995373 0.86 HSP90AA1 (0.52) HSP90AA1HSP90AB1MEN1KMT2ANPC1
SCHEMBL14212098 0.81 HSP90AA1 (0.39) HSP90AA1HSP90AB1MEN1KMT2ANPC1
SCHEMBL20995383 0.81 HSP90AA1 (0.48) HSP90AA1HSP90AB1MEN1KMT2ANPC1
SCHEMBL20812240 0.81 PTGS2 (0.47) HSP90AA1HSP90AB1NPC1RAB9APTGS2
SCHEMBL25494292 0.81 FLT3 (0.46) MEN1KMT2ANPC1RAB9APTGS2
SCHEMBL26156421 0.79 CYP19A1 (0.45) NPC1RAB9APTGS2PTGS1ALDH1A3
SCHEMBL13036563 0.79 CYP19A1 (0.47) KMT2ANPC1RAB9APTGS2PTGS1
SCHEMBL27757262 0.78 NPC1 (0.52) HSP90AA1HSP90AB1MEN1KMT2ANPC1
SCHEMBL18922484 0.78 HSP90AA1 (0.63) HSP90AA1HSP90AB1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190076539-A1 AMINE-LINKED C3-GLUTARIMIDE DEGRONIMERS FOR TARGET PROTEIN DEGRADATION C4 Theraprutics, Inc. (US) 2019-03-14 — — 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-20190076539-A1 AMINE-LINKED C3-GLUTARIMIDE DEGRONIMERS FOR TARGET PROTEIN DEGRADATION GCGR, STUB1, GID4 HSP90AA1 1424/4885HSP90AB1 1796/4885MEN1 213/4885

“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