SCHEMBL26700816

SCHEMBL26700816

O=Cc1c[nH]c2cc(-c3ccccc3Cl)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS2 Q9H2K2 1/20 0.53
▸ CYP2A6 P11509 2/20 0.53
▸ IMPDH2 P12268 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ PLG P00747 1/20 0.46
▸ PLAU P00749 1/20 0.46
▸ PAK1 Q13153 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ TYK2 P29597 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ ERN1 O75460 1/20 0.42
▸ CCNT1 O60563 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ HASPIN Q8TF76 1/20 0.42
▸ PIM1 P11309 2/20 0.40
▸ PIM3 Q86V86 2/20 0.40
▸ PIM2 Q9P1W9 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
SCHEMBL15330738 0.89 CYP2A6 (0.53) TNKS2CYP2A6IMPDH2KDM4EALDH1A1
SCHEMBL2560135 0.83 TNKS (0.53) TNKS2CYP2A6IMPDH2KDM4EALDH1A1
SCHEMBL2535062 0.80 CYP2A6 (0.61) TNKS2CYP2A6IMPDH2KDM4EALDH1A1
SCHEMBL26700716 0.80 CYP2A6 (0.49) CYP2A6IMPDH2KDM4EALDH1A1MAPT
SCHEMBL15301094 0.75 PRKAB2 (0.63) CYP2A6IMPDH2CCNT1CDK9HASPIN
SCHEMBL28316571 0.75 MMP2 (0.49) TNKS2PAK1JAK2JAK1TYK2
SCHEMBL29958078 0.75 CYP2A6 (0.64) CYP2A6IMPDH2KDM4EALDH1A1MAPT
SCHEMBL639590 0.75 CYP2A6 (0.64) CYP2A6IMPDH2KDM4EALDH1A1MAPT
SCHEMBL7844961 0.73 CYP2A6 (0.57) TNKS2CYP2A6IMPDH2KDM4EALDH1A1
SCHEMBL15331451 0.72 CYP2A6 (0.53) TNKS2CYP2A6IMPDH2KDM4EALDH1A1

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-20230339886-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-10-26 — — US disclosed
US-20230339886-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-10-26 — — US disclosed
WO-2021263278-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS THE SCRIPPS RESEARCH INSTITUTE (US) 2021-12-30 — — 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-20230339886-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS NR1H2, NR1H3, NR1D1 TNKS2 3085/4885CYP2A6 1550/4885IMPDH2 4354/4885

“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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