SCHEMBL18186201

SCHEMBL18186201

Cc1cc(N)ccc1C1=CCN(C(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
NR4A1 P22736 1/20 0.40
PTK2B Q14289 1/20 0.40
QDPR P09417 2/20 0.39
ADAM10 O14672 1/20 0.38
ERBB2 P04626 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL21714595 0.87 MAPT (0.44) MAPTALDH1A1MEN1KMT2AQDPR
SCHEMBL19092679 0.84 MMP2 (0.40) MAPTALDH1A1MEN1KMT2AQDPR
SCHEMBL28504627 0.84 MAPT (0.40) MAPTALDH1A1MEN1KMT2AQDPR
SCHEMBL16422890 0.84 MAPT (0.44) MAPTALDH1A1GAAQDPRSMN1; SMN2
SCHEMBL8013522 0.84 MAPT (0.39) MAPTALDH1A1MEN1KMT2AQDPR
SCHEMBL28909629 0.83 TSHR (0.46) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL1811363 0.83 PDK4 (0.55)
SCHEMBL29744827 0.83 PDK4 (0.55)
SCHEMBL6359772 0.81 NAMPT (0.42) QDPRADAM10MMP2LIMK1LIMK2
SCHEMBL22324761 0.80 ALDH1A1 (0.47) MAPTALDH1A1MEN1KMT2AGAA

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 4 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
CN-105829315-A Pyrimidopyrimidinones useful as Wee-1 kinase inhibitors 阿尔麦克探索有限公司 2016-08-03 CN 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 3728/4885ALDH1A1 1940/4885MEN1 1681/4885

“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.