SCHEMBL13256448

SCHEMBL13256448

Cc1cc(NC(=O)c2cc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)n[nH]2)n[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 3/20 0.53
▸ CDK2 P24941 3/20 0.53
▸ CCNA1 P78396 3/20 0.53
▸ NPC1 O15118 7/20 0.45
▸ RAB9A P51151 7/20 0.45
▸ ATM Q13315 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TP53 P04637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ HPGDS O60760 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ LCK P06239 1/20 0.36

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
SCHEMBL13387620 0.86 SMN1; SMN2 (0.44) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL19101944 0.82 DYRK1A (0.38) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL13387759 0.80 NQO2 (0.37) MEN1KMT2ATP53CYP1A2MAPT
SCHEMBL1520368 0.78 ALOX15 (0.56) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1906671 0.77 HDAC3 (0.38) ATMCYP1A2CYP2C19ALDH1A1LMNA
SCHEMBL1908029 0.77 ALDH1A1 (0.38) SMN1; SMN2MAPTALDH1A1LMNAHTT
SCHEMBL13388282 0.77 MAPK1 (0.41) CCNA2CDK2CCNA1HPGD
SCHEMBL2427435 0.74 — —
SCHEMBL6341557 0.74 CCNA2 (0.85) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL12332643 0.72 SMN1; SMN2 (0.37) SMN1; SMN2MEN1KMT2AMAPTDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100183513-A1 N-(METHYL) -1H-PYRAZOL-3-AMINE, N-(METHYL)-PYRIDIN-2-AMINE AND N-(METHYL)-THIAZOL-2-AMINE DERIVATIVES FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS, LIKE E.G. ALZHEIMER'S AC IMMUNE SA (CH) 2010-07-22 — — US disclosed
US-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2010-06-10 — — 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 (2 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-20100183513-A1 N-(METHYL) -1H-PYRAZOL-3-AMINE, N-(METHYL)-PYRIDIN-2-AMINE AND N-(METHYL)-THIAZOL-2-AMINE DERIVATIVES FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS, LIKE E.G. ALZHEIMER'S PSEN2, APP, PSEN1 CCNA2 1216/4885CDK2 1047/4885CCNA1 1089/4885
US-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS APP, BACE1, APBA1 CCNA2 802/4885CDK2 2441/4885CCNA1 712/4885

“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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