SCHEMBL22987635

SCHEMBL22987635

C[C@@H](N)C(=O)NCCN1CCN(C)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.49
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CNR1 P21554 1/20 0.44
USP2 O75604 1/20 0.44
HTR4 Q13639 1/20 0.44
TSHR P16473 2/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SHMT2 P34897 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL29645969 0.87 CYP2C19 (0.47) CYP2C19HDAC2HDAC8HDAC6CNR1
SCHEMBL30392344 0.86 CA12 (0.51) CYP2C19POLBALDH1A1RAB9AMEN1
SCHEMBL4100480 0.86 CYP2C19 (0.51) CYP2C19HDAC2HDAC8HDAC6CNR1
SCHEMBL12310314 0.83 TSHR (0.62) TSHRPOLBALDH1A1
SCHEMBL30393488 0.83 MEN1 (0.52) CYP2C19HTR4TSHRALDH1A1RAB9A
SCHEMBL13573035 0.83 TSHR (0.62) TSHRPOLBALDH1A1
SCHEMBL12310311 0.83 TSHR (0.62) TSHRPOLBALDH1A1
SCHEMBL26308203 0.81 CYP2C19 (0.44) CYP2C19HDAC2HDAC8HDAC6CNR1
SCHEMBL12899404 0.80 CYP2C19 (0.47) CYP2C19HDAC2HDAC8HDAC6CNR1
SCHEMBL14980909 0.79 SMN1; SMN2 (0.54) USP2TSHRTP53SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114466850-A [1,2,4] triazolo [1,5-C ] quinazolin-5-amines 拜耳股份有限公司 2022-05-10 CN claimed
US-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-13 US disclosed
US-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-13 US disclosed
WO-2021028382-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2021-02-18 WO 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-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES AHR, HRH4, HRH1 CYP2C19 269/4885HDAC2 844/4885HDAC8 1798/4885

“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.