SCHEMBL558051

SCHEMBL558051

OC1CN(c2ncc[nH]2)C1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HIPK2 Q9H2X6 1/20 0.40
F2RL1 P55085 3/20 0.33
ALOX15 P16050 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ADRA1A P35348 1/20 0.31
ABL1 P00519 1/20 0.30
PDE10A Q9Y233 2/20 0.30

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
SCHEMBL556899 0.85 LMNA (0.39) HIPK2F2RL1ABL1PDE10A
SCHEMBL5929732 0.76 KDM4E (0.43) HIPK2F2RL1ALDH1A1
SCHEMBL300491 0.72 ALOX15 (0.41) HIPK2F2RL1ALOX15ALDH1A1SMN1; SMN2
SCHEMBL311710 0.71 BCHE (0.42) HIPK2F2RL1ALOX15ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL9200760 0.71 ALOX15 (0.39) HIPK2F2RL1ALOX15ALDH1A1SMN1; SMN2
SCHEMBL11585128 0.71 ALOX15 (0.36) HIPK2ALOX15ALDH1A1SMN1; SMN2
SCHEMBL6403188 0.71 HIPK2 (0.36) HIPK2F2RL1ALOX15
SCHEMBL5891722 0.69 HIPK2 (0.37) HIPK2ALOX15ALDH1A1SMN1; SMN2
SCHEMBL3096843 0.69 KDM4E (0.48) ALOX15ALDH1A1
Hydrochloric Acid SCHEMBL29375122 0.69 BCHE (0.41) HIPK2F2RL1ALOX15ALDH1A1SMN1; SMN2

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-7999006-B2 Anticancer agents; mitogen-activated protein kinases (MEK) EXELIXIS, INC. (US) 2011-08-16 US claimed
US-20250100966-A1 MEK INHIBITORS AND METHODS OF THEIR USE EXELIXIS INC (US) 2025-03-27 US disclosed
US-8859583-B2 Bicyclic heterocyclic compounds as protein tyrosine kinase inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-10-14 US disclosed
US-20120035153-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2012-02-09 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-20120035153-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BMX, CDK1 HIPK2 292/4885F2RL1 2000/4885ALOX15 4640/4885
US-20250100966-A1 MEK INHIBITORS AND METHODS OF THEIR USE BRAF, NRAS, KRAS HIPK2 1508/4885F2RL1 2861/4885ALOX15 1192/4885

“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.