SCHEMBL14091390

SCHEMBL14091390

O=C(c1ccc2nc(-c3nc(-c4ccc(F)cc4)cs3)[nH]c2c1)N1CCN(CCO)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 1/20 0.45
▸ CHEK2 O96017 4/20 0.44
▸ CDK5 Q00535 2/20 0.44
▸ CDK5R1 Q15078 2/20 0.44
▸ FGFR1 P11362 3/20 0.44
▸ FGFR2 P21802 3/20 0.44
▸ FGFR3 P22607 3/20 0.44
▸ KDR P35968 3/20 0.44
▸ MAPK14 Q16539 1/20 0.43
▸ ATR Q13535 2/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ TACR3 P29371 1/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ STAT3 P40763 1/20 0.40
▸ HRH4 Q9H3N8 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
SCHEMBL14091406 0.91 ALDH1A1 (0.50) CHEK2CDK5CDK5R1FGFR1FGFR2
SCHEMBL14091267 0.86 ATR (0.56) NR4A2CHEK2CDK5CDK5R1FGFR1
SCHEMBL14091389 0.77 HDAC6 (0.53) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL14091238 0.77 ALDH1A1 (0.54) CHEK2CDK5CDK5R1FGFR1FGFR2
SCHEMBL25138166 0.77 MGLL (0.49) NR4A2CHEK2FGFR1FGFR2FGFR3
SCHEMBL14091388 0.76 HDAC6 (0.62) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL14091523 0.76 NR4A2 (0.53) NR4A2CHEK2KDRMAPK14ATR
SCHEMBL14090211 0.76 PKN1 (0.44) CHEK2CDK5CDK5R1FGFR1FGFR2
SCHEMBL14115822 0.76 MGLL (0.49) CHEK2FGFR1FGFR2FGFR3KDR
SCHEMBL14115798 0.75 HDAC6 (0.49) CHEK2FGFR1FGFR2FGFR3KDR

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 NR4A2 846/4885CHEK2 330/4885CDK5 285/4885

“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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