SCHEMBL19922639

SCHEMBL19922639

CCN1CCN(c2cc[c]cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.45
GAA P10253 4/20 0.45
KDM4E B2RXH2 4/20 0.45
CHRNA7 P36544 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
RAD52 P43351 2/20 0.41
MAPT P10636 2/20 0.41
GFER P55789 1/20 0.41
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 3/20 0.37
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GLA P06280 1/20 0.36
HPGD P15428 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
SCHEMBL932525 0.81 HRH4 (0.45) HRH3KDM4ECYP1A2ALDH1A1
SCHEMBL27471254 0.81 GAA (0.46) HRH3GAAKDM4ECYP2C9CYP2C19
SCHEMBL8185009 0.81 POLB (0.36) MAPTPOLBALDH1A1
SCHEMBL1772389 0.80 CASP1 (0.43)
SCHEMBL3219141 0.78 NPC1 (0.55) KDM4ESMN1; SMN2MAPTRAB9ANPC1
SCHEMBL743397 0.78 MAPT (0.40) SMN1; SMN2MAPTRAB9ANPC1CYP1A2
SCHEMBL2067822 0.78 MAPT (0.36) KDM4ESMN1; SMN2MAPTRAB9ANPC1
SCHEMBL1316269 0.77 MAPT (0.41) SMN1; SMN2MAPTRAB9ANPC1CYP1A2
SCHEMBL1773335 0.77 HRH3 (0.45) HRH3KDM4EMAPTALDH1A1
SCHEMBL8194170 0.76 MAPT (0.48) GAAKDM4ESMN1; SMN2MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180065969-A1 THERAPEUTIC AGENT OF ACUTE MYELOID LEUKEMIA CONTAINING 1,3,7-TRISUBSTITUTED 3,4-DIHYDROPYRIMIDO[4,5-D]PYRIMIDINE-2(1H)-ONE DERIVATIVES KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2018-03-08 US claimed
US-10155767-B2 Therapeutic agent of acute myeloid leukemia containing 1,3,7-trisubstituted 3,4-dihydropyrimido[4,5-D]pyrimidine-2(1H)-one derivatives KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2018-12-18 US disclosed
US-20180065969-A1 THERAPEUTIC AGENT OF ACUTE MYELOID LEUKEMIA CONTAINING 1,3,7-TRISUBSTITUTED 3,4-DIHYDROPYRIMIDO[4,5-D]PYRIMIDINE-2(1H)-ONE DERIVATIVES KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2018-03-08 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-10155767-B2 Therapeutic agent of acute myeloid leukemia containing 1,3,7-trisubstituted 3,4-dihydropyrimido[4,5-D]pyrimidine-2(1H)-one derivatives GAK, DCK, NRAS HRH3 2150/4885GAA 4009/4885KDM4E 2270/4885
US-20180065969-A1 THERAPEUTIC AGENT OF ACUTE MYELOID LEUKEMIA CONTAINING 1,3,7-TRISUBSTITUTED 3,4-DIHYDROPYRIMIDO[4,5-D]PYRIMIDINE-2(1H)-ONE DERIVATIVES GAK, DCK, NRAS HRH3 2150/4885GAA 4009/4885KDM4E 2270/4885

“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.