SCHEMBL31462912

SCHEMBL31462912

CCCCNc1ncnc2c1sc1nc3ccccc3cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 1/20 1.00
▸ FLT1 P17948 1/20 1.00
▸ LMNA P02545 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ S1PR2 O95136 1/20 0.47
▸ TLR8 Q9NR97 2/20 0.45
▸ KDM4E B2RXH2 5/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ ACP1 P24666 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ IDE P14735 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RAD52 P43351 1/20 0.40
▸ UBE2N P61088 1/20 0.40

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
SCHEMBL23458905 1.00 CHEK2 (1.00) CHEK2FLT1LMNASMN1; SMN2NPSR1
SCHEMBL31683835 0.73 CHEK2 (0.57) CHEK2FLT1SMN1; SMN2KDM4EKMT2A
SCHEMBL12822381 0.73 LIMK1 (0.59) CHEK2FLT1KDM4ENPC1MAPT
SCHEMBL23327861 0.73 CHEK2 (0.57) CHEK2FLT1SMN1; SMN2KDM4EKMT2A
SCHEMBL23378444 0.72 ALDH1A1 (0.66) CHEK2FLT1LMNASMN1; SMN2NPSR1
SCHEMBL23378472 0.69 ALDH1A1 (0.65) CHEK2FLT1LMNASMN1; SMN2NPSR1
SCHEMBL28426308 0.69 TLR8 (0.73) CHEK2FLT1LMNASMN1; SMN2NPSR1
SCHEMBL23378352 0.68 ALDH1A1 (0.64) CHEK2FLT1LMNASMN1; SMN2NPSR1
SCHEMBL8421424 0.66 SOD1 (0.56) CHEK2FLT1LMNASMN1; SMN2NPSR1
SCHEMBL23352787 0.66 CHEK2 (0.49) CHEK2FLT1KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250111889-A1 DE NOVO DESIGNED MACROCYCLIC OLIGOAMIDES UNIVERSITY OF WASHINGTON 2025-04-03 — — 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-20250111889-A1 DE NOVO DESIGNED MACROCYCLIC OLIGOAMIDES DHFR, CCNH, ODC1 CHEK2 1883/4885FLT1 1688/4885LMNA 1387/4885

“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.

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