SCHEMBL14089973

SCHEMBL14089973

COc1ncccc1-c1ccc(O)c(-c2nc3cc(N4CCC5(CCN(C)C5)C4)ccc3[nH]2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ CARM1 Q86X55 3/20 0.38
▸ DHFR P00374 1/20 0.36
▸ KDM4E B2RXH2 5/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ SMN1; SMN2 Q16637 5/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ LRRK2 Q5S007 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CDK4 P11802 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CCND3 P30281 1/20 0.34

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
SCHEMBL12834289 0.91 LOXL2 (0.41) LOXL2CARM1DHFRKDM4ERAB9A
SCHEMBL12834124 0.84 LOXL2 (0.38) LOXL2CARM1DHFRKDM4EALDH1A1
SCHEMBL14090230 0.81 ALDH1A1 (0.55) CARM1KDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL12834288 0.80 RAB9A (0.45) KDM4ERAB9AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL12834297 0.79 FFAR4 (0.40) LOXL2CARM1DHFRKDM4ERAB9A
SCHEMBL1509531 0.79 ALDH1A1 (0.50) LOXL2CARM1DHFRKDM4ERAB9A
SCHEMBL12834306 0.78 LOXL2 (0.36) LOXL2CARM1DHFRLRRK2HRH4
SCHEMBL12833861 0.78 GSK3B (0.39) LOXL2CARM1GSK3BCDK4CCNA2
SCHEMBL14090419 0.77 RIPK1 (0.46) LOXL2CARM1KDM4EL3MBTL1ALDH1A1
SCHEMBL12833423 0.76 PDE2A (0.40) LOXL2CARM1GSK3B

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-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — 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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 LOXL2 1125/4885CARM1 785/4885DHFR 838/4885

“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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