SCHEMBL12480579

SCHEMBL12480579

CCC(=O)c1c[nH]c2cnccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 1/20 0.48
HASPIN Q8TF76 1/20 0.46
DYRK1A Q13627 5/20 0.45
GSK3B P49841 3/20 0.45
NFATC1 O95644 3/20 0.45
LMNA P02545 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HAT1 O14929 2/20 0.42
EP300 Q09472 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CTNNB1 P35222 2/20 0.41
WNT3A P56704 2/20 0.41
KDM5A P29375 1/20 0.41

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
SCHEMBL19676558 0.88 NAMPT (0.46) CPT1AHASPINLMNARAB9AMAPT
SCHEMBL30924488 0.82 HASPIN (0.64) CPT1AHASPINDYRK1AGSK3BNFATC1
SCHEMBL3217902 0.82 HASPIN (0.64) CPT1AHASPINDYRK1AGSK3BNFATC1
SCHEMBL30101234 0.82 DYRK1A (0.51) HASPINDYRK1AGSK3BNFATC1MAPT
SCHEMBL2052704 0.82 DYRK1A (0.51) HASPINDYRK1AGSK3BNFATC1MAPT
SCHEMBL1006364 0.81 KDM5A (0.54) HASPINMAPTMEN1KMT2AKDM5A
SCHEMBL4357845 0.79 ALDH1A1 (0.59) HASPINDYRK1AGSK3BNFATC1HAT1
SCHEMBL22300127 0.79 DYRK1A (0.49) CPT1AHASPINDYRK1AGSK3BNFATC1
SCHEMBL1607800 0.78 NR4A2 (0.62) CPT1AHASPINDYRK1AGSK3B
SCHEMBL31753965 0.78 NR4A2 (0.62) CPT1AHASPINDYRK1AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2661433-B1 INDOLE COMPOUNDS OR ANALOGUES THEREOF USEFUL FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) NOVARTIS AG (CH) 2017-08-16 EP disclosed
US-9085555-B2 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2015-07-21 US disclosed
EP-2661433-A1 INDOLE COMPOUNDS OR ANALOGUES THEREOF USEFUL FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) Novartis AG (CH) 2013-11-13 EP disclosed
CN-101646656-B Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI AVENTIS SPA 2013-08-14 CN disclosed
US-20120295884-A1 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2012-11-22 US disclosed
WO-2012093101-A1 INDOLE COMPOUNDS OR ANALOGUES THEREOF USEFUL FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) NOVARTIS AG (CH) 2012-07-12 WO disclosed
CN-101646656-A Pyrimidine hydrazide compounds as the PGDS inhibitor SANOFI AVENTIS FR 2010-02-10 CN 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-20120295884-A1 Complement pathway modulators and uses thereof C5, C3AR1, C9 CPT1A 1293/4885HASPIN 444/4885DYRK1A 4409/4885

“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.