SCHEMBL23479219

SCHEMBL23479219

Cc1ccc2ncc(C(C)(C)C)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 5/20 0.44
TSHR P16473 1/20 0.40
NCK1 P16333 1/20 0.39
BACE1 P56817 1/20 0.39
NQO2 P16083 1/20 0.38
CYP2A6 P11509 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PSMB5 P28074 1/20 0.38
MAP3K5 Q99683 1/20 0.37
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
TRPV1 Q8NER1 1/20 0.35
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
PDE2A O00408 1/20 0.34

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
SCHEMBL4548632 0.86 SCN10A (0.42) ALDH1A1CYP1A2MEN1KMT2ATRPV1
SCHEMBL19008535 0.85 CYP1A2 (0.53) ALDH1A1CYP1A2TSHRTRPV1CCR1
SCHEMBL12416706 0.85 ALDH1A1 (0.47) ALDH1A1CYP1A2TSHRNCK1BACE1
SCHEMBL23478912 0.80 HRH4 (0.38) ALDH1A1PDE3BPDE3ATRPV1PDGFRB
SCHEMBL23479353 0.80 TNKS (0.40) ALDH1A1TSHRBACE1PDE3BPDE3A
SCHEMBL4572536 0.80 CYP1A2 (0.65) ALDH1A1CYP1A2NCK1BACE1NQO2
SCHEMBL14072408 0.77 NPC1 (0.38) ALDH1A1MEN1KMT2APSMB5TRPV1
SCHEMBL20515366 0.77 EGFR (0.54) CYP1A2MEN1KMT2APSMB5PDE3B
SCHEMBL16203494 0.77 PDGFRB (0.55) ALDH1A1CYP1A2NQO2MEN1KMT2A
SCHEMBL418110 0.77 CYP1A2 (0.57) ALDH1A1CYP1A2CYP2A6TRPV1PDGFRB

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-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

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 ALDH1A1 4709/4885CYP1A2 4271/4885TSHR 3550/4885
US-20210171461-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 ALDH1A1 4709/4885CYP1A2 4271/4885TSHR 3550/4885

“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.