SCHEMBL19650810

SCHEMBL19650810

Cc1cccc(Cl)c1CNC1CC1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.67
HTT P42858 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
KMT2A Q03164 3/20 0.46
P2RX7 Q99572 7/20 0.46
EIF2AK1 Q9BQI3 2/20 0.40
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.38
POLB P06746 2/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
RAB9A P51151 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
KDM4E B2RXH2 1/20 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
SCHEMBL5562380 0.89 HTT (0.81) GLAHTTNPSR1KMT2AP2RX7
SCHEMBL5561631 0.87 HTT (0.52) GLAHTTNPSR1KMT2AMEN1
SCHEMBL2468656 0.79 HTT (0.67) GLAHTTNPSR1KMT2AP2RX7
SCHEMBL27978786 0.77 GLA (0.69) GLAHTTNPSR1KMT2APOLB
SCHEMBL736962 0.76 GLA (0.53) GLAHTTNPSR1KMT2AP2RX7
SCHEMBL696022 0.76 GLA (0.45) GLAHTTNPSR1KMT2AMEN1
SCHEMBL10061644 0.76 P2RX7 (0.44) GLAHTTNPSR1KMT2AP2RX7
SCHEMBL31737601 0.74 HDAC8 (0.48) P2RX7EIF2AK1HDAC8
SCHEMBL5993038 0.74 P2RX7 (0.44) GLAHTTNPSR1P2RX7EIF2AK1
SCHEMBL4387822 0.73 CRBN (0.46) GLAHTTNPSR1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11254681-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases NUEVOLUTION A/S (DK) 2022-02-22 US disclosed
US-20200392140-A1 OPTIONALLY FUSED HETEROCYCLYL- SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2020-12-17 US disclosed
US-10683293-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases NUEVOLUTION A/S (DK) 2020-06-16 US disclosed
US-20170342074-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2017-11-30 US disclosed
US-20170342074-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2017-11-30 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 (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-11254681-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases PPARD, PPARG, RORC GLA 3343/4885HTT 4129/4885NPSR1 2925/4885
US-20200392140-A1 OPTIONALLY FUSED HETEROCYCLYL- SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES PPARD, PPARG, RORC GLA 3343/4885HTT 4129/4885NPSR1 2925/4885
US-20170342074-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES PPARD, PPARG, RORC GLA 3343/4885HTT 4129/4885NPSR1 2925/4885
US-10683293-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases PPARD, PPARG, RORC GLA 3343/4885HTT 4129/4885NPSR1 2925/4885

“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.