SCHEMBL21542012

SCHEMBL21542012

CC(C)Nc1nc(N)c2c(Cc3ccc(F)cc3)cccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.41
ADRA1D P25100 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
HTR6 P50406 1/20 0.41
KCNH3 Q9ULD8 2/20 0.40
APP P05067 4/20 0.39
DHFR P00374 4/20 0.38
DCPS Q96C86 3/20 0.38
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
AURKA O14965 1/20 0.37
GRK6 P43250 1/20 0.37
ELANE P08246 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
CTNNB1 P35222 1/20 0.36
TCF7L2 Q9NQB0 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL21541996 0.88 APP (0.46) KCNH3APPDHFRDCPSBCHE
SCHEMBL21542052 0.85 DHFR (0.39) APPDHFRDCPSBCHEACHE
SCHEMBL21542046 0.84 DHFR (0.44) APPDHFRDCPSBCHEACHE
Hydrochloric Acid SCHEMBL3779550 0.82 KCNH3 (0.50) KCNH3
SCHEMBL3638423 0.81 KCNH3 (0.47) KCNH3APPDHFRDCPSAURKA
SCHEMBL21541976 0.80 DCPS (0.44) KCNH3APPDHFRDCPSBCHE
Hydrochloric Acid SCHEMBL27786609 0.78 DHFR (0.56) DHFRDCPS
SCHEMBL3640284 0.78 NPC1 (0.40) APPDHFRDCPSCTNNB1TCF7L2
SCHEMBL20564674 0.77 KCNH3 (0.50) KCNH3APPCTNNB1TCF7L2
Hydrochloric Acid SCHEMBL3638075 0.76 DRD3 (0.43) GRK6CTNNB1TCF7L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2022-12-06 US disclosed
US-20190345157-A1 COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-11-14 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 (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-20190345157-A1 COMPOUNDS ABCB11, LTC4S, AQP1 HTR7 3923/4885ADRA1D 3800/4885HTR2C 2811/4885
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds P2RX5, PNPO, P2RX3 HTR7 3096/4885ADRA1D 3607/4885HTR2C 1905/4885

“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.