SCHEMBL4845293

SCHEMBL4845293

COc1ccc(CN(c2c[c]ccc2)c2ccncc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ LMNA P02545 3/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NR1D1 P20393 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ DRD1 P21728 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36

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
SCHEMBL8908075 0.75 LTA4H (0.57) TSHRMEN1KMT2AOPRM1SIGMAR1
SCHEMBL28291470 0.74 MEN1 (0.38) TSHRLMNAMAPTKDM4EMEN1
SCHEMBL28291521 0.74 ALDH1A1 (0.42) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL28291464 0.74 BCL2A1 (0.44) USP2LMNAMAPTMEN1KMT2A
SCHEMBL12075881 0.73 LMNA (0.53) TSHRUSP2LMNAMAPTCYP19A1
SCHEMBL27827514 0.71 LTA4H (0.55) TSHRLMNAALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL3259774 0.70 LMNA (0.50) TSHRUSP2LMNAMAPTCYP19A1
SCHEMBL18590698 0.69 KCNA3 (0.49) TSHRLMNAMAPTKMT2AALDH1A1
SCHEMBL25444919 0.68 CNR1 (0.49) TSHRUSP2LMNAMAPTKDM4E
SCHEMBL11876060 0.68 ESR2 (0.54) TSHRMEN1KMT2A

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-7345045-B2 Pyrido-pyrimidine compounds as medicaments SCIOS, INC. (US) 2008-03-18 — — US disclosed
US-20050171123-A1 Quinazoline derivatives as medicaments SCIOS, INC. 2005-08-04 — — US disclosed
US-6277989-B1 USEFUL IN TREATING CONDITIONS THAT ARE CHARACTERIZED BY ENHANCED P38 KINASE ACTIVITY AND/OR TRANSFORMING GROWTH FACTOR BETA (TGF-.BETA.) ACTIVITY SUCH AS INFLAMMATION, PROLIFERATIVE DISEASES, AND CERTAIN CARDIOVASCULAR DISORDERS SCIOS, INC. 2001-08-21 — — 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-20050171123-A1 Quinazoline derivatives as medicaments TGFBR2, SMAD2, ADRB2 TSHR 2037/4885USP2 2489/4885LMNA 2788/4885

“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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