SCHEMBL5959260

SCHEMBL5959260

N#Cc1cc(C(=O)c2cccnc2)n2c1ccc1ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 1/20 0.42
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP1A1 P04798 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP1B1 Q16678 1/20 0.40
▸ NPC1 O15118 5/20 0.39
▸ RAB9A P51151 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ USP2 O75604 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL5310989 0.87 PTPN1 (0.44) RAB9AALDH1A1MAPTNPSR1LMNA
SCHEMBL5256604 0.82 DYRK1A (0.47) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL5257352 0.81 PTPN1 (0.40) MAPK1PTPN1CDC25ADUSP3
SCHEMBL5959180 0.81 PTPN1 (0.39) ALDH1A1MEN1KMT2AMAPTUSP2
SCHEMBL5313502 0.80 LMNA (0.41) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL5959209 0.80 MAPK1 (0.44) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL5959251 0.80 FNTA (0.44) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL5959278 0.80 KMT2A (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL5308585 0.80 MAPK1 (0.39) CYP3A4ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5959223 0.79 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135480-B2 Anticarcinogenic agents; colon, lymphoma, lung, prostate and breast cancers CYTOVIA, INC. (US) 2006-11-14 — — US claimed
US-20050014759-A1 Substituted 1-benzoyl-3-cyano-pyrrolo [1,2-a] quinolines and analogs as activators of caspases and inducers of apoptosis CYTOVIA, INC. 2005-01-20 — — US claimed
US-7135480-B2 Anticarcinogenic agents; colon, lymphoma, lung, prostate and breast cancers CYTOVIA, INC. (US) 2006-11-14 — — US disclosed
US-20050014759-A1 Substituted 1-benzoyl-3-cyano-pyrrolo [1,2-a] quinolines and analogs as activators of caspases and inducers of apoptosis CYTOVIA, INC. 2005-01-20 — — 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-20050014759-A1 Substituted 1-benzoyl-3-cyano-pyrrolo [1,2-a] quinolines and analogs as activators of caspases and inducers of apoptosis CASP3, CASP7, CASP1 MAP2K1 4381/4885CYP1A2 1488/4885CYP3A4 2001/4885

“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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