SCHEMBL18186169

SCHEMBL18186169

C[C@@H]1CN(c2ccc(N)cc2)CCN1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
GFER P55789 4/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
GAA P10253 3/20 0.47
KMT2A Q03164 2/20 0.47
ADRA2C P18825 2/20 0.47
PTK2B Q14289 1/20 0.47
ESR2 Q92731 1/20 0.47
KHK P50053 2/20 0.45
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL6998068 1.00 MAPT (0.47) MAPTGFERALDH1A1KDM4EGAA
SCHEMBL16580720 1.00 MAPT (0.47) MAPTGFERALDH1A1KDM4EGAA
SCHEMBL6786862 0.84 ADRB1 (0.58) MAPTALDH1A1KMT2AADRA2CKHK
SCHEMBL24123867 0.84 ADRB1 (0.58) MAPTALDH1A1KMT2AADRA2CKHK
SCHEMBL2245943 0.84 ADRB1 (0.58) MAPTALDH1A1KMT2AADRA2CKHK
SCHEMBL20883678 0.83 TLR9 (0.45) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL20883668 0.83 TLR9 (0.45) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL22411504 0.82 MAPT (0.46) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL24028605 0.82 MAPT (0.46) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL1203357 0.82 HTR3E (0.56) MAPTALDH1A1ADRA2CKHKBCL2A1

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-9850247-B2 Pyrimidopyrimidinones useful as Wee-1 kinase inhibitors ALMAC HOUSE (GB) 2017-12-26 US disclosed
EP-3083625-B1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS ALMAC DISCOVERY LTD (GB) 2017-11-01 EP disclosed
US-20160318936-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2016-11-03 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-20160318936-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS WEE1, WEE2, NME1 MAPT 3728/4885GFER 3975/4885ALDH1A1 1940/4885

“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.