SCHEMBL26806483

SCHEMBL26806483

Cc1cccc(C)c1-c1cc(Oc2ccc(N3CCNCC3)nc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX12 P18054 1/20 0.39
▸ RET P07949 3/20 0.36
▸ NMT1 P30419 6/20 0.36
▸ PIM1 P11309 3/20 0.35
▸ PIM3 Q86V86 3/20 0.35
▸ PIM2 Q9P1W9 3/20 0.35
▸ PRKD3 O94806 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ PRKCG P05129 1/20 0.35
▸ PRKCB P05771 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ PRKCA P17252 1/20 0.35
▸ PRKCH P24723 1/20 0.35
▸ PRKCI P41743 1/20 0.35
▸ ZAP70 P43403 1/20 0.35
▸ PRKCE Q02156 1/20 0.35
▸ PRKCQ Q04759 1/20 0.35
▸ PRKCZ Q05513 1/20 0.35
▸ PRKCD Q05655 1/20 0.35
▸ PRKD1 Q15139 1/20 0.35

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
SCHEMBL26808265 0.90 HTR3E (0.39) KCNH2
SCHEMBL29566284 0.90 HTR3E (0.39) KCNH2
SCHEMBL24310583 0.90 RIPK2 (0.38) ALOX12LCK
SCHEMBL26858387 0.90 GUSB (0.42) —
SCHEMBL26837336 0.88 HTR6 (0.37) NMT1HTR2C
SCHEMBL29567043 0.88 HTR6 (0.37) NMT1HTR2C
SCHEMBL26809994 0.87 GUSB (0.36) ALOX12PIM1PIM3PIM2LCK
SCHEMBL29566346 0.84 HTR1A (0.36) EGFR
SCHEMBL24309393 0.84 HTR1A (0.36) EGFR
SCHEMBL26814536 0.84 PIK3CD (0.36) —

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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B ALOX12 3292/4885RET 1413/4885NMT1 266/4885

“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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