SCHEMBL19922730

SCHEMBL19922730

CCN1CCN(c2ccc(Nc3ncc4c(n3)N(C)C(=O)N(c3cc(NC(=O)c5cccc(C(F)(F)F)c5)ccc3C)C4)cn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 19/20 1.00
MAP4K2 Q12851 19/20 1.00
ABL1 P00519 3/20 0.77
BMX P51813 3/20 0.77
BCR P11274 1/20 0.77
RIPK1 Q13546 1/20 0.77
RIPK3 Q9Y572 1/20 0.77
MAPK3 P27361 1/20 0.69
LCK P06239 1/20 0.68
FES P07332 1/20 0.68
RET P07949 1/20 0.68
PDGFRB P09619 1/20 0.68
KIT P10721 1/20 0.68
FGFR1 P11362 1/20 0.68
SRC P12931 1/20 0.68
PDGFRA P16234 1/20 0.68
FLT1 P17948 1/20 0.68
FGFR3 P22607 1/20 0.68
EPHA3 P29320 1/20 0.68
KDR P35968 1/20 0.68

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
SCHEMBL19922805 0.94 TNK2 (0.90) TNK2MAP4K2ABL1BMXBCR
SCHEMBL29750378 0.93 TNK2 (0.86) TNK2MAP4K2ABL1BMXBCR
SCHEMBL3139197 0.92 TNK2 (1.00) TNK2MAP4K2ABL1BMXBCR
SCHEMBL29750257 0.92 TNK2 (0.84) TNK2MAP4K2ABL1BMXBCR
SCHEMBL19922731 0.91 TNK2 (0.90) TNK2MAP4K2ABL1BMXBCR
SCHEMBL29750223 0.91 TNK2 (0.83) TNK2MAP4K2ABL1BMXBCR
SCHEMBL3132265 0.88 TNK2 (0.84) TNK2MAP4K2ABL1BMXBCR
SCHEMBL3139165 0.88 TNK2 (0.89) TNK2MAP4K2ABL1BMXBCR
SCHEMBL29404264 0.88 TNK2 (1.00) TNK2MAP4K2ABL1BMXBCR
SCHEMBL29875282 0.88 TNK2 (1.00) TNK2MAP4K2ABL1BMXBCR

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-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 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
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
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 TNK2 38/4885MAP4K2 50/4885ABL1 206/4885
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 TNK2 38/4885MAP4K2 50/4885ABL1 206/4885

“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.