SCHEMBL4986476

SCHEMBL4986476

NC(=O)c1ccc2cc(C=O)ccc2n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.42
▸ PTPN1 P18031 1/20 0.41
▸ TGFBR1 P36897 1/20 0.40
▸ CYP2A6 P11509 3/20 0.39
▸ PARP10 Q53GL7 1/20 0.37
▸ PARP3 Q9Y6F1 1/20 0.37
▸ GRM2 Q14416 5/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MGAM O43451 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ IKBKB O14920 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ LMNA P02545 1/20 0.35

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
SCHEMBL16093684 0.76 BACE1 (0.55) PIM1PTPN1GRM2KDM4EALDH1A1
SCHEMBL8007815 0.76 NCK1 (0.55) PIM1PTPN1CYP2A6GRM2RAB9A
SCHEMBL31733680 0.76 BACE1 (0.55) PIM1PTPN1GRM2MAPT
SCHEMBL5625543 0.76 GRM2 (0.47) PIM1PTPN1GRM2KDM4EMAPT
SCHEMBL4681143 0.75 PLAU (0.57) —
SCHEMBL28609497 0.75 KDM4E (0.45) CYP2A6KDM4EPTGS2RAB9AALDH1A1
SCHEMBL1668204 0.75 TDP1 (0.46) PIM1PTPN1KDM4ERAB9AMGAM
Hydrochloric Acid SCHEMBL31733671 0.75 BACE1 (0.53) PIM1PTPN1GRM2MAPT
SCHEMBL18077323 0.73 SCN7A (0.46) PIM1PTPN1CYP2A6RAB9AMAPT
SCHEMBL20921201 0.72 MEN1 (0.46) PTPN1CYP2A6RAB9AL3MBTL1ALDH1A1

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
US-7468378-B2 Substituted quinoline compounds PFIZER INC. (US) 2008-12-23 — — US disclosed
US-7393958-B2 Triamide-substituted heterobicyclic compounds PFIZER, INC. (US) 2008-07-01 — — US disclosed
US-7368573-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2008-05-06 — — US disclosed
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 — — US disclosed
EP-1716137-A1 SUBSTITUTED QUINOLINE COMPOUNDS Pfizer Products Incorporated (US) 2006-11-02 — — EP disclosed
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS BERTINATO PETER 2006-10-05 — — US disclosed
US-20050234099-A1 Substituted quinoline compounds PFIZER INC 2005-10-20 — — US disclosed
WO-2005080373-A1 SUBSTITUTED QUINOLINE COMPOUNDS PFIZER PRODUCTS INC. (US) 2005-09-01 — — 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 (3 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-20050234099-A1 Substituted quinoline compounds APOB, APOL1, MTPN PIM1 4338/4885PTPN1 709/4885TGFBR1 1832/4885
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 PIM1 4336/4885PTPN1 618/4885TGFBR1 266/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 PIM1 4336/4885PTPN1 618/4885TGFBR1 266/4885

“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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