Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5008133

Clc1n[nH]c2ccc(Nc3ncnc4[nH]c(C5=CCNCC5)cc34)cc12.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.41
▸ CDK9 P50750 15/20 0.40
▸ CCNT1 O60563 14/20 0.40
▸ PRMT5 O14744 4/20 0.35

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
SCHEMBL5004913 0.92 CDK9 (0.43) BTKCDK9CCNT1PRMT5
Hydrochloric Acid SCHEMBL5002137 0.91 CDK9 (0.42) BTKCDK9CCNT1PRMT5
Hydrochloric Acid SCHEMBL16962704 0.91 CDK9 (0.42) BTKCDK9CCNT1PRMT5
SCHEMBL13996682 0.81 CDK9 (0.41) BTKCDK9CCNT1PRMT5
SCHEMBL13994535 0.81 BTK (0.41) BTKCDK9CCNT1
Hydrochloric Acid SCHEMBL5004769 0.81 BTK (0.41) BTKCDK9CCNT1
Hydrochloric Acid SCHEMBL5005426 0.81 BTK (0.41) BTKCDK9CCNT1
Triaziquone SCHEMBL17063658 0.80 CDK9 (0.35) BTKCDK9CCNT1PRMT5
Hydrochloric Acid SCHEMBL5005421 0.80 CDK9 (0.42) BTKCDK9CCNT1
SCHEMBL16961658 0.80 CCNT1 (0.37) BTKCDK9CCNT1

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-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 — — US disclosed
CN-101052629-A Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds OSI PHARM INC (US) 2007-10-10 — — CN disclosed
US-20060211678-A1 Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2006-09-21 — — 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-20060211678-A1 Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds BMX, ERBB2, FRK BTK 7/4885CDK9 428/4885CCNT1 1580/4885

“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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