SCHEMBL9885403

SCHEMBL9885403

N/C(=C\S)c1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
LMNA P02545 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NAPRT Q6XQN6 1/20 0.47
P4HTM Q9NXG6 1/20 0.47
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 2/20 0.42
GSK3B P49841 1/20 0.41
RAB9A P51151 7/20 0.41
NPC1 O15118 6/20 0.41
PKM P14618 5/20 0.41
MAPT P10636 3/20 0.41
MITF O75030 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
POLB P06746 1/20 0.40
HDAC3 O15379 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
SCHEMBL20626855 0.81 MAPK1 (0.59) MAPK1CES2CES1LMNAL3MBTL1
SCHEMBL862011 0.76 MAPK1 (0.50) MAPK1CES2CES1LMNAL3MBTL1
SCHEMBL20825179 0.76 MAPK1 (0.50) MAPK1CES2CES1LMNAL3MBTL1
SCHEMBL5442496 0.76 MAPK1 (0.54) MAPK1CES2CES1LMNAL3MBTL1
SCHEMBL29078777 0.76 MAPK1 (0.58) MAPK1CES2CES1LMNAL3MBTL1
SCHEMBL19154947 0.76 MAPK1 (0.50) MAPK1CES2CES1LMNAL3MBTL1
SCHEMBL1245893 0.76 RAB9A (0.57) MAPK1CES2CES1LMNAL3MBTL1
SCHEMBL28996723 0.76 MAPK1 (0.68) MAPK1CES2CES1LMNAL3MBTL1
SCHEMBL20808033 0.75 ALDH1A1 (0.55) MAPK1CES2CES1LMNAL3MBTL1
SCHEMBL15818190 0.75 CES2 (0.58) MAPK1CES2CES1LMNAL3MBTL1

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-20230128688-A1 DIRECTED CONJUGATION TECHNOLOGIES KLEO PHARMACEUTICALS, INC. 2023-04-27 US disclosed
EP-2460800-A1 Substituted aminothiazole derivatives with anti-HCV activity Achillion Pharmaceuticals, Inc. (US) 2012-06-06 EP disclosed
WO-2012020080-A2 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY II GRAFFINITY PHARMACEUTICALS GMBH (DE) 2012-02-16 WO 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-20230128688-A1 DIRECTED CONJUGATION TECHNOLOGIES CD2BP2, CD2, CD47 MAPK1 4545/4885CES2 821/4885CES1 2163/4885

“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.