SCHEMBL3027474

SCHEMBL3027474

CCCNc1nc(N2CCN(c3ccc(C#N)cc3)CC2)nc2c1SCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA10 Q9GZZ6 1/20 0.37
▸ CHRNA9 Q9UGM1 1/20 0.37
▸ HRH4 Q9H3N8 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ CETP P11597 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ AOC3 Q16853 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KHK P50053 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ PDE7A Q13946 1/20 0.32
▸ PDE11A Q9HCR9 1/20 0.32

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
SCHEMBL2920928 0.87 ESR1 (0.36) KDM4ECETPLMNAESR1ESR2
SCHEMBL2911656 0.87 MEN1 (0.34) HRH4CETPLMNAMEN1KMT2A
SCHEMBL2922786 0.87 HTT (0.36) HRH4CETPLMNAMEN1KMT2A
SCHEMBL2916952 0.86 PDE11A (0.42) HRH4KDM4ELMNAMEN1KMT2A
SCHEMBL3022088 0.82 MAPT (0.41) HRH4LMNAMEN1KMT2AALDH1A1
SCHEMBL2913055 0.80 KHK (0.43) KDM4ECETPLMNAMEN1KMT2A
SCHEMBL2671509 0.78 CHRNA10 (0.36) CHRNA10CHRNA9HRH4KDM4ETP53
SCHEMBL2923250 0.76 KMT2A (0.41) KDM4EMEN1KMT2APDE11AALDH1A1
SCHEMBL13212462 0.74 PDE11A (0.37) HRH4TP53MEN1KMT2AKHK
SCHEMBL13177100 0.74 PDE11A (0.41) KDM4EMEN1KMT2ATSHRPDE7A

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-8354531-B2 Compounds for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 — — US disclosed
US-20100197656-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 — — 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-20100197656-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES TPMT, MALT1, IL1B CHRNA10 4369/4885CHRNA9 4612/4885HRH4 61/4885

“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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