SCHEMBL13106445

SCHEMBL13106445

CCc1nn(C)c2c(C)cc(Cl)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 9/20 0.42
▸ MAPK9 P45984 6/20 0.42
▸ MAPK10 P53779 5/20 0.42
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ CYP2C9 P11712 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ CSF1R P07333 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ CLK2 P49760 1/20 0.32
▸ MAP4K2 Q12851 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
SCHEMBL13106438 0.85 MAPK8 (0.43) MAPK8MAPK9MAPK10GAAGABRA1
SCHEMBL13106432 0.82 MAPK8 (0.41) MAPK8MAPK9MAPK10GAAGABRA1
SCHEMBL13106443 0.80 GAA (0.36) MAPK8MAPK9MAPK10GAASMN1; SMN2
SCHEMBL13106325 0.79 ADORA2A (0.44) MAPK8MAPK9MAPK10GAASMN1; SMN2
SCHEMBL13106366 0.77 MAPK8 (0.36) MAPK8MAPK9MAPK10GAAALDH1A1
SCHEMBL13106436 0.72 MAPK8 (0.36) MAPK8MAPK9MAPK10GAA
SCHEMBL13106360 0.72 MAPK8 (0.36) MAPK8MAPK9MAPK10GAACYP2C9
SCHEMBL13106420 0.71 MAPK8 (0.56) MAPK8MAPK9MAPK10MAPTGABRA1
SCHEMBL13106457 0.70 ADORA2A (0.39) MAPK8MAPK9MAPK10GAASMN1; SMN2
SCHEMBL13106386 0.70 GAA (0.40) MAPK8MAPK9MAPK10GAAALDH1A1

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-7812045-B2 Antifungal triazole derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2010-10-12 — — US disclosed
US-20080194661-A1 Antifungal Triazole Derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2008-08-14 — — 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-20080194661-A1 Antifungal Triazole Derivatives ERG28, CYP51A1, CYP3A43 MAPK8 3107/4885MAPK9 2234/4885MAPK10 4181/4885

“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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