Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL16654807

Nc1ccc(C(=O)N2CCCC(CNc3ncc(Cl)c(-c4cn(S(=O)(=O)c5ccccc5)c5ccccc45)n3)C2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 5/20 0.41
▸ BCHE P06276 1/20 0.41
▸ LCK P06239 1/20 0.39
▸ PADI4 Q9UM07 1/20 0.39
▸ TPSAB1 Q15661 1/20 0.39
▸ CDK7 P50613 7/20 0.37
▸ CDK9 P50750 6/20 0.37
▸ CCNH P51946 6/20 0.37
▸ CCNK O75909 5/20 0.37
▸ CDK13 Q14004 5/20 0.37
▸ CDK12 Q9NYV4 5/20 0.37
▸ CCNT1 O60563 5/20 0.37
▸ CDK2 P24941 5/20 0.37
▸ MNAT1 P51948 4/20 0.37
▸ CCNA2 P20248 3/20 0.37
▸ CDK3 Q00526 1/20 0.37
▸ EGFR P00533 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ DRD2 P14416 3/20 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
SCHEMBL21234246 0.96 LCK (0.42) HTR6BCHELCKCDK7CDK9
SCHEMBL18068876 0.91 CCNK (0.42) HTR6BCHELCKPADI4CDK7
SCHEMBL30886776 0.87 HTR6 (0.43) HTR6BCHECDK7CDK9CCNH
SCHEMBL16655056 0.85 CDK7 (0.48) CDK7CDK9CCNHCCNKCDK13
SCHEMBL18045081 0.85 CDK7 (0.48) CDK7CDK9CCNHCCNKCDK13
SCHEMBL16655165 0.85 HTR6 (0.46) HTR6BCHELCKCDK7CDK9
SCHEMBL16655163 0.83 HTR6 (0.57) HTR6BCHELCKCDK9CCNT1
SCHEMBL16655415 0.83 CDK2 (0.48) CDK7CDK9CCNHCCNKCDK13
SCHEMBL16654808 0.83 CDK2 (0.48) CDK7CDK9CCNHCCNKCDK13
SCHEMBL16654810 0.83 CDK2 (0.48) CDK7CDK9CCNHCCNKCDK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040957-B2 Heteroaromatic compounds useful for the treatment of proliferative diseases DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-06-22 — — US disclosed
US-20190241541-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES OXFORD FINANCE LLC, AS COLLATERAL AGENT 2019-08-08 — — US disclosed
EP-3057955-B1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2018-04-11 — — EP disclosed
US-20160264551-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS, INC. (US) 2016-09-15 — — US disclosed
EP-3057955-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Syros Pharmaceuticals, Inc. (US) 2016-08-24 — — EP disclosed
WO-2015058126-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS, INC. (US) 2015-04-23 — — WO 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-20190241541-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES CDK7, CDK3, CDK4 HTR6 3026/4885BCHE 4706/4885LCK 331/4885
US-11040957-B2 Heteroaromatic compounds useful for the treatment of proliferative diseases CDK7, CDK3, CDK4 HTR6 3026/4885BCHE 4706/4885LCK 331/4885
US-20160264551-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES CDK7, CDK6, CDK3 HTR6 2956/4885BCHE 4772/4885LCK 605/4885

“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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