SCHEMBL20101594

SCHEMBL20101594

O=C(c1ccc(-c2cccnc2)cc1)N1C[C@@H]2CN(C(=O)c3ccc4[nH]nnc4c3)C[C@H]2C1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 4/20 0.52
▸ MKNK2 Q9HBH9 4/20 0.52
▸ ABL1 P00519 3/20 0.50
▸ BCR P11274 3/20 0.50
▸ GHSR Q92847 1/20 0.49
▸ HTR2B P41595 2/20 0.48
▸ CHRNB2 P17787 1/20 0.46
▸ CHRNB4 P30926 1/20 0.46
▸ CHRNA3 P32297 1/20 0.46
▸ CHRNA7 P36544 1/20 0.46
▸ CHRNA4 P43681 1/20 0.46
▸ HPGD P15428 2/20 0.43
▸ SLC6A7 Q99884 1/20 0.43
▸ HCRTR1 O43613 1/20 0.40
▸ HCRTR2 O43614 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ NAMPT P43490 1/20 0.40

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
SCHEMBL21323246 0.89 MKNK1 (0.42) MKNK1MKNK2ABL1BCRGHSR
SCHEMBL16963353 0.89 MKNK1 (0.44) MKNK1MKNK2ABL1BCRGHSR
SCHEMBL16963390 0.89 MKNK1 (0.42) MKNK1MKNK2ABL1BCRGHSR
SCHEMBL16963359 0.89 MKNK1 (0.44) MKNK1MKNK2ABL1BCRGHSR
SCHEMBL20101593 0.88 CHRNB2 (0.49) GHSRHTR2BCHRNB2CHRNB4CHRNA3
SCHEMBL20101592 0.84 HTR2B (0.46) GHSRHTR2BCHRNB2CHRNB4CHRNA3
SCHEMBL16962831 0.84 SLC6A7 (0.47) ABL1BCRHTR2BHPGDSLC6A7
SCHEMBL16962830 0.84 SLC6A7 (0.47) ABL1BCRHTR2BHPGDSLC6A7
SCHEMBL21323113 0.84 SLC6A7 (0.47) ABL1BCRHTR2BHPGDSLC6A7
SCHEMBL20107136 0.84 SLC6A7 (0.47) ABL1BCRHTR2BHPGDSLC6A7

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-10669268-B2 Bicyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2020-06-02 — — US disclosed
US-20180118741-A1 NEW BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-05-03 — — US disclosed
US-20180118741-A1 NEW BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-05-03 — — 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-10669268-B2 Bicyclic derivatives CCNY, BICRA, UQCRB MKNK1 2189/4885MKNK2 1450/4885ABL1 230/4885
US-20180118741-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB MKNK1 2386/4885MKNK2 1620/4885ABL1 315/4885

“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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