SCHEMBL4083828

SCHEMBL4083828

NC(=O)c1cc(-c2ccncc2)c[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 13/20 1.00
▸ CDK8 P49336 13/20 1.00
▸ CDC7 O00311 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ AURKA O14965 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ GLA P06280 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ THRB P10828 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ ALOX12 P18054 1/20 0.53
▸ ADRA2B P18089 1/20 0.53
▸ PDE4A P27815 1/20 0.53

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
SCHEMBL16115995 0.84 CCNC (0.72) CCNCCDK8CDC7KDM4EMEN1
SCHEMBL30471697 0.81 CCNC (0.69) CCNCCDK8AURKAALDH1A1MAPT
SCHEMBL16115264 0.80 CCNC (0.71) CCNCCDK8CDC7HTTKMT2A
SCHEMBL16115168 0.80 CCNC (0.71) CCNCCDK8CDC7
SCHEMBL16115998 0.79 CCNC (1.00) CCNCCDK8CDC7ALDH1A1HTT
SCHEMBL16115032 0.79 CCNC (1.00) CCNCCDK8CDC7ALDH1A1PIK3CB
SCHEMBL20742135 0.79 CCNC (0.65) CCNCCDK8CDC7ALDH1A1CYP1A2
SCHEMBL16116044 0.78 CCNC (0.68) CCNCCDK8KDM4EMEN1AURKA
SCHEMBL8853769 0.78 CCNC (0.64) CCNCCDK8CDC7KDM4EMEN1
SCHEMBL16116189 0.77 CCNC (1.00) CCNCCDK8CDC7ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014154723-A1 NOVEL PYRROLE DERIVATIVES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2014-10-02 — — WO claimed
US-20090099237-A1 Methods of treating inflammatory diseases ROCHE PALO ALTO LLC 2009-04-16 — — US claimed
WO-2009047163-A1 METHODS OF TREATING INFLAMMATORY DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-16 — — WO claimed
CN-117396462-A Antiviral compounds 英菲克斯治疗有限公司 2024-01-12 — — CN disclosed
WO-2014154723-A1 NOVEL PYRROLE DERIVATIVES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2014-10-02 — — WO disclosed
WO-2014154723-A1 NOVEL PYRROLE DERIVATIVES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2014-10-02 — — WO disclosed
WO-2009047163-A1 METHODS OF TREATING INFLAMMATORY DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-16 — — WO disclosed
US-20090099237-A1 Methods of treating inflammatory diseases ROCHE PALO ALTO LLC 2009-04-16 — — 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-20090099237-A1 Methods of treating inflammatory diseases CSNK1A1, PACSIN2, CSNK1G1 CCNC 3527/4885CDK8 1687/4885CDC7 1521/4885

“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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