SCHEMBL627733

SCHEMBL627733

CC(N)CC1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.38
CTSD P07339 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
SCHEMBL14975247 1.00 PIK3CD (0.38) PIK3CDCTSD
SCHEMBL16322147 1.00 PIK3CD (0.38) PIK3CDCTSD
Hydrochloric Acid SCHEMBL3633106 0.98 PIK3CD (0.36) PIK3CDCTSD
Hydrochloric Acid SCHEMBL16321736 0.98 PIK3CD (0.36) PIK3CDCTSD
Hydrochloric Acid SCHEMBL15992119 0.98 PIK3CD (0.36) PIK3CDCTSD
SCHEMBL8528473 0.82 ALDH1A1 (0.37)
SCHEMBL14478291 0.82
SCHEMBL6204634 0.82
SCHEMBL102262 0.80 PIK3CD (0.45) PIK3CDCTSD
SCHEMBL12687881 0.80 PIK3CD (0.31) PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3177611-B1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION AS (DK) 2021-10-06 EP disclosed
CN-106573899-B Optionally fused, heterocyclyl-substituted pyrimidine derivatives for the treatment of inflammatory, metabolic, neoplastic and autoimmune diseases 纽韦卢森公司 2021-04-06 CN disclosed
EP-3724195-A1 SUBSTITUTED TETRAHYDROPYRAN DIHYDROTHIENOPYRIMIDINES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2020-10-21 EP disclosed
WO-2020205627-A1 USE OF BIOMARKER IN CANCER THERAPY RAIN THERAPEUTICS INC. (US) 2020-10-08 WO disclosed
US-10689383-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases NUEVOLUTION A/S (DK) 2020-06-23 US disclosed
US-10689383-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases NUEVOLUTION A/S (DK) 2020-06-23 US disclosed
WO-2020102304-A1 COMBINATION OF A KINASE INHIBITOR AND AN ELECTROLYTE, COMPOSITIONS AND METHODS COMPRISING THE SAME RAIN THERAPEUTICS INC. (US) 2020-05-22 WO disclosed
WO-2020055643-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HER-DRIVEN CANCERS RAIN THERAPEUTICS INC. (US) 2020-03-19 WO disclosed
WO-2019115775-A1 SUBSTITUTED TETRAHYDROPYRAN DIHYDROTHIENOPYRIMIDINES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2019-06-20 WO disclosed
WO-2019051155-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HER-DRIVEN DRUG-RESISTANT CANCERS THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2019-03-14 WO disclosed
US-20170327503-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2017-11-16 US disclosed
US-20170327503-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2017-11-16 US disclosed
US-20170327503-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2017-11-16 US disclosed
EP-3177611-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES Nuevolution A/S (DK) 2017-06-14 EP disclosed
WO-2016020295-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2016-02-11 WO disclosed
EP-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP 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-10689383-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases RORA, RORC, RORB PIK3CD 2657/4885CTSD 4612/4885
US-20170327503-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES PPARD, PPARG, RORC PIK3CD 1660/4885CTSD 4042/4885

“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.