SCHEMBL22366278

SCHEMBL22366278

CCOC(=O)c1ncn(-c2cccc(Cl)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
NOTUM Q6P988 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 4/20 0.53
GABRA2 P47869 1/20 0.49
GABRB2 P47870 1/20 0.49
LMNA P02545 2/20 0.48
TP53 P04637 1/20 0.48
KMT2A Q03164 3/20 0.47
SLC26A6 Q9BXS9 1/20 0.47
POLB P06746 1/20 0.47
ELANE P08246 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
ADORA1 P30542 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL19402109 0.86 MAPT (0.52) NOTUMALDH1A1MAPTTP53KMT2A
SCHEMBL22319687 0.86 MAPT (0.52) HTTNOTUMALDH1A1MAPTLMNA
SCHEMBL5487271 0.85 NOTUM (0.71) NOTUMALDH1A1MAPTTP53POLB
SCHEMBL15760252 0.85 KMT2A (0.60) HTTNOTUMALDH1A1MAPTGABRA2
SCHEMBL15754510 0.82 NOTUM (0.50) HTTNOTUMALDH1A1MAPTLMNA
SCHEMBL10730270 0.81 GABRA2 (0.51) NOTUMALDH1A1MAPTGABRA2GABRB2
SCHEMBL2211673 0.81 NOTUM (0.54) NOTUMALDH1A1MAPTTP53KMT2A
SCHEMBL15019823 0.79 MAPT (0.50) NOTUMALDH1A1MAPTTP53POLB
SCHEMBL20097094 0.78 PDE4B (0.55) NOTUMALDH1A1MAPTLMNAKMT2A
SCHEMBL15754511 0.77 NPC1 (0.59) NOTUMALDH1A1MAPTGABRA2GABRB2

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-11230540-B2 Substituted triazole derivatives and uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-01-25 US disclosed
US-11230540-B2 Substituted triazole derivatives and uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-01-25 US disclosed
US-20210179590-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AND USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-06-17 US disclosed
US-20210179590-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AND USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-06-17 US disclosed
EP-3700899-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AND USES THEREOF Bayer Pharma Aktiengesellschaft (DE) 2020-09-02 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-20210179590-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AND USES THEREOF GLS, TNNI3, CYP11B2 HTT 1862/4885NOTUM 2750/4885ALDH1A1 858/4885
US-11230540-B2 Substituted triazole derivatives and uses thereof GLS, TNNI3, CYP11B2 HTT 1862/4885NOTUM 2750/4885ALDH1A1 858/4885

“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.