SCHEMBL22745637

SCHEMBL22745637

CSc1cnc(-c2ccc(C3(C)CC3)cc2)nc1C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 12/20 0.33
▸ CLK1 P49759 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ HIPK1 Q86Z02 1/20 0.33
▸ HIPK2 Q9H2X6 1/20 0.33
▸ HIPK3 Q9H422 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30

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
SCHEMBL26941926 0.82 CLK1 (0.33) CLK1CLK2HIPK1HIPK2HIPK3
SCHEMBL22732516 0.78 USP1 (0.36) CLK1CLK2HIPK1HIPK2HIPK3
SCHEMBL22712461 0.75 ALDH1A1 (0.56) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL22275580 0.75 NPC1 (0.44) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL22712437 0.70 ALDH1A1 (0.53) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL22732770 0.70 RXRA (0.36) CLK1CLK2HIPK1HIPK2HIPK3
SCHEMBL22745756 0.70 RXRA (0.37) CLK1CLK2HIPK1HIPK2HIPK3
SCHEMBL24389533 0.68 PDE2A (0.32) CLK1CLK2HIPK1HIPK2HIPK3
SCHEMBL22712492 0.68 KDM4E (0.42) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL22732833 0.65 KDM4E (0.35) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2

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-11208387-B2 Macrocyclic broad spectrum antibiotics GENENTECH, INC. (US) 2021-12-28 — — US disclosed
US-20200377463-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS GENENTECH, INC. 2020-12-03 — — 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-20200377463-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, CLPP, PEPD MTOR 196/4885CLK1 2495/4885CLK2 3785/4885
US-11208387-B2 Macrocyclic broad spectrum antibiotics MRPL21, CLPP, PEPD MTOR 196/4885CLK1 2495/4885CLK2 3785/4885

“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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