SCHEMBL14612942

SCHEMBL14612942

CCc1cnc(NCCN2CCNCC2)nc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ NMT1 P30419 1/20 0.43
▸ P2RX3 P56373 1/20 0.43
▸ P2RX2 Q9UBL9 1/20 0.43
▸ TLR8 Q9NR97 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ TYRO3 Q06418 1/20 0.38
▸ MERTK Q12866 1/20 0.38
▸ GAS6 Q14393 1/20 0.38
▸ TMEM97 Q5BJF2 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ IKBKB O14920 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KDM4E B2RXH2 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
SCHEMBL14582228 0.72 P2RX3 (0.47) CA1CA2CA9NMT1P2RX3
SCHEMBL14612959 0.70 ALDH1A1 (0.34) ALDH1A1TSHRHSD17B10CYP2D6HRH4
SCHEMBL8201848 0.66 RAB9A (0.43) CA1CA2CA9ALDH1A1TSHR
SCHEMBL3320135 0.64 NMT1 (0.48) CA1CA2CA9NMT1TMEM97
SCHEMBL10680607 0.64 KMT2A (0.48) CA1CA2CA9NMT1FLT3
SCHEMBL17910145 0.64 SLC2A1 (0.42) MKNK1CCNA2CDK2
SCHEMBL17910174 0.62 FGFR1 (0.44) CCNA2CDK2
SCHEMBL6935628 0.62 NMT1 (0.44) CA1CA2CA9NMT1P2RX3
SCHEMBL10235090 0.61 MEN1 (0.41) IKBKBALDH1A1TSHRKDM4EHSD17B10
SCHEMBL8304884 0.61 CYP3A4 (0.63) CA1CA2CA9SIGMAR1IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032518-A1 Compounds and methods of use AMGEN INC. (US) 2007-02-08 — — 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-20070032518-A1 Compounds and methods of use BAX, BAD, CASP3 CA1 1217/4885CA2 1951/4885CA9 1314/4885

“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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