SCHEMBL29622804

SCHEMBL29622804

c1cc(NCC2CCOCC2)ncn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
GRIN2B Q13224 1/20 0.48
CHEK1 O14757 1/20 0.46
GPR39 O43194 1/20 0.43
KCNH3 Q9ULD8 1/20 0.43
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
CSF1R P07333 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
FYN P06241 1/20 0.40
CDK9 P50750 2/20 0.40
CCNT1 O60563 7/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCD Q05655 1/20 0.40
HIF1A Q16665 1/20 0.39
HRH4 Q9H3N8 1/20 0.38

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
SCHEMBL10187269 0.85 CYP3A4 (0.51) CYP3A4CYP2D6CYP2C9GRIN2BGPR39
Hydrochloric Acid SCHEMBL5397909 0.80 CYP3A4 (0.47) CYP3A4CYP2D6CYP2C9GRIN2BCHEK1
SCHEMBL17700171 0.79 HIF1A (0.51) GRIN2BGPR39KCNH3HTR1AHTR1D
SCHEMBL30794445 0.79 HIF1A (0.51) GRIN2BGPR39KCNH3HTR1AHTR1D
SCHEMBL1225401 0.76 CDK9 (0.48) CYP3A4CYP2D6CYP2C9GRIN2BCHEK1
SCHEMBL5316024 0.76 HCAR3 (0.55) KCNH3KDM4EHSD17B10HIF1A
SCHEMBL19462025 0.76 CCNT1 (0.50) KCNH3CDK9CCNT1
SCHEMBL25426946 0.76 MAPK1 (0.51) CYP3A4CYP2D6HSD17B10FYN
SCHEMBL4057443 0.74 KDM4E (0.48) CHEK1KCNH3CSF1RKDM4ETSHR
SCHEMBL13432211 0.74 KDM4E (0.48) CHEK1KCNH3KDM4ETSHRHSD17B10

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-11344549-B2 2-substituted pyrazole amino-4-substituted amino-5-pyrimidine formamide compound, composition, and application thereof BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2022-05-31 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-11344549-B2 2-substituted pyrazole amino-4-substituted amino-5-pyrimidine formamide compound, composition, and application thereof JAK1, JAK3, JAK2 CYP3A4 1139/4885CYP2D6 953/4885CYP2C9 685/4885

“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.