SCHEMBL16743121

SCHEMBL16743121

CC(C)c1cnc2cc(F)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 4/20 0.47
▸ PDGFRA P16234 4/20 0.47
▸ BACE1 P56817 1/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ CNR1 P21554 3/20 0.35
▸ CNR2 P34972 3/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ AKR1C2 P52895 1/20 0.35
▸ ITGAV P06756 1/20 0.34
▸ ITGB6 P18564 1/20 0.34
▸ ITGB8 P26012 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ GCG P01275 1/20 0.34
▸ MAOB P27338 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL15686689 0.86 PDGFRB (0.40) PDGFRBPDGFRABACE1CYP1A2CYP2A6
SCHEMBL11322091 0.83 OGA (0.40) CYP1A2ESR2KDM4EKMT2A
SCHEMBL13356681 0.82 OGA (0.37) AKR1C3AKR1C2KDM4EHRH4KMT2A
SCHEMBL2667927 0.80 ALDH1A1 (0.47) PDGFRBPDGFRABACE1CYP1A2CYP2A6
SCHEMBL29904777 0.79 PDGFRB (0.50) PDGFRBPDGFRACYP1A2CYP2A6HRH4
SCHEMBL40697 0.79 PDGFRB (0.50) PDGFRBPDGFRACYP1A2CYP2A6HRH4
SCHEMBL9071490 0.78 BACE1 (0.42) BACE1ITGAVITGB6ITGB8KDM4E
SCHEMBL13356662 0.78 PDGFRB (0.42) PDGFRBPDGFRACNR1CNR2AKR1C3
SCHEMBL20047698 0.76 PDE10A (0.36) —
SCHEMBL20049318 0.76 AKR1C3 (0.43) CYP1A2CYP2A6AKR1C3AKR1C2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 — — US disclosed
US-20210171461-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2021-06-10 — — US disclosed
US-9040530-B2 1,2,4-triazine-6-carboxamide kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2015-05-26 — — 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-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 PDGFRB 4632/4885PDGFRA 4842/4885BACE1 2314/4885
US-20210171461-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 PDGFRB 4632/4885PDGFRA 4842/4885BACE1 2314/4885

“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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