SCHEMBL21935470

SCHEMBL21935470

c1cc(N2CCNCC2)c2c(n1)NCCC2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AKT1S1 Q96B36 1/20 0.49
▸ NCF1 P14598 7/20 0.48
▸ ADRB2 P07550 3/20 0.48
▸ ROCK2 O75116 1/20 0.44
▸ ROCK1 Q13464 1/20 0.44
▸ CDC42BPB Q9Y5S2 1/20 0.44
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ PRKCI P41743 2/20 0.40
▸ PRKCZ Q05513 2/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ HTR7 P34969 1/20 0.40
▸ HRH3 Q9Y5N1 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
SCHEMBL21877004 0.80 AKT1S1 (0.41) AKT1S1ROCK2ROCK1CDC42BPBHRH3
SCHEMBL7406379 0.79 NCF1 (0.49) NCF1ADRB2ROCK2ROCK1CDC42BPB
SCHEMBL31599929 0.75 ROCK2 (0.46) AKT1S1ROCK2ROCK1CDC42BPBHRH3
SCHEMBL2800011 0.75 AKT1S1 (0.53) AKT1S1HTR2C
SCHEMBL21935475 0.75 DDB1 (0.44) AKT1S1
Hydrochloric Acid SCHEMBL2797277 0.74 AKT1S1 (0.52) AKT1S1HTR2C
SCHEMBL13533073 0.73 DRD2 (0.55) NCF1HTR2AHTR2CSLC6A4ADRB1
SCHEMBL21919667 0.71 NCF1 (0.47) NCF1ADRB2ROCK2ROCK1CDC42BPB
SCHEMBL17041865 0.71 UHRF1 (0.55) AKT1S1HTR2AHTR2C
SCHEMBL31600294 0.71 PRKCI (0.40) AKT1S1ROCK2ROCK1HTR2CPRKCI

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-20230000994-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES YALE UNIVERSITY 2023-01-05 — — US disclosed
US-11173211-B2 Compounds and methods for the targeted degradation of rapidly accelerated Fibrosarcoma polypeptides ARVINAS OPERATIONS, INC. (US) 2021-11-16 — — US disclosed
US-20200129627-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES ARVINAS OPERATIONS, INC. 2020-04-30 — — 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 (3 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-20200129627-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES CRBN, ARAF, VHL AKT1S1 1499/4885NCF1 586/4885ADRB2 3638/4885
US-11173211-B2 Compounds and methods for the targeted degradation of rapidly accelerated Fibrosarcoma polypeptides CRBN, ARAF, VHL AKT1S1 1499/4885NCF1 586/4885ADRB2 3638/4885
US-20230000994-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES CRBN, ARAF, VHL AKT1S1 1499/4885NCF1 586/4885ADRB2 3638/4885

“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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