SCHEMBL14345649

SCHEMBL14345649

CCc1cccc(CNCN)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ KIF11 P52732 2/20 0.40
▸ SIGMAR1 Q99720 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ CXCR4 P61073 1/20 0.39
▸ RAPGEF4 Q8WZA2 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ GRIN2D O15399 1/20 0.38
▸ GRIN3B O60391 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2A Q12879 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ GRIN2C Q14957 1/20 0.38
▸ GRIN3A Q8TCU5 1/20 0.38
▸ CHRM2 P08172 2/20 0.38
▸ NOS3 P29474 1/20 0.38

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
SCHEMBL16151769 0.89 CHRM2 (0.44) CYP1A2ALDH1A1CXCR4LMNACHRM2
SCHEMBL12972118 0.85 MC4R (0.54) CYP1A2CYP2D6CYP2C19KIF11ALDH1A1
SCHEMBL12956919 0.83 PARP1 (0.43) CYP1A2CYP2D6CYP2C19ALDH1A1NPSR1
Hydrochloric Acid SCHEMBL17710436 0.82 CYP1A2 (0.45) CYP1A2CYP2D6CYP2C19SIGMAR1ALDH1A1
SCHEMBL11445203 0.79 CYP3A4 (0.59) CYP1A2KIF11SIGMAR1ALDH1A1TP53
SCHEMBL13333688 0.78 BCHE (0.46) LMNA
SCHEMBL166894 0.78 TP53 (0.61) CYP1A2KIF11SIGMAR1ALDH1A1TP53
SCHEMBL14331101 0.77 ALDH1A1 (0.49) ALDH1A1NPSR1RAPGEF4LMNACHRM2
SCHEMBL14294259 0.77 PDCD1 (0.50) CYP1A2CYP2D6CYP2C19LMNACHRM2
SCHEMBL13253641 0.77 MEN1 (0.47) CYP1A2CYP2D6CYP2C19ALDH1A1CXCR4

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
WO-2007139860-A2 HETEROBICYLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 — — WO disclosed
WO-2007079199-A2 SUBSTITUTED BIS-AMIDE METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, HOLDING, INC. (US) 2007-07-12 — — WO disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 — — US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 — — 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 (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-20070155737-A1 Heterobicyclic metalloprotease inhibitors ADAMTS4, ADAMTS1, ADAMTS5 CYP1A2 3491/4885CYP2D6 3012/4885CYP2C19 2363/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 CYP1A2 763/4885CYP2D6 535/4885CYP2C19 601/4885

“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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