SCHEMBL7530171

SCHEMBL7530171

Cc1nn(C)c(NCC(C)(C)C)c1NCc1ccc(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
BCDIN3D Q7Z5W3 2/20 0.39
P2RX7 Q99572 6/20 0.38
PLK4 O00444 3/20 0.38
PDE2A O00408 1/20 0.37
MAPT P10636 1/20 0.37
NTRK1 P04629 3/20 0.35
PAK4 O96013 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL7531677 0.83 SMN1; SMN2 (0.40) GAABCDIN3DMAPT
SCHEMBL7531237 0.79 SMN1; SMN2 (0.44) P2RX7
SCHEMBL7533638 0.74
SCHEMBL7532592 0.74 ADRA2C (0.39) GAABCDIN3D
SCHEMBL31137190 0.69 KDM4E (0.40) P2RX7NTRK1
SCHEMBL7530709 0.68 CA12 (0.41) GAAMAPT
SCHEMBL7530442 0.66 KMT2A (0.41) GAABCDIN3DMAPT
SCHEMBL7894092 0.65 GAA (0.40) GAAP2RX7PLK4NTRK1
SCHEMBL7531156 0.65 NMT1 (0.41) BCDIN3DMAPT
SCHEMBL7527986 0.64 NUDT1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020032198-A1 Diaminopyrazoles AMERICAN HOME PRODUCTS CORPORATION 2002-03-14 US claimed
US-6319941-B1 TREATMENT OF SMOOTH MUSCLE SPASTICITY OR EXCESS MUSCLE CONTRACTION SUCH AS URGE URINARY INCONTINENCE AMERICAN HOME PRODUCTS CORPORATION 2001-11-20 US claimed
US-6458823-B1 4,5-DIAMINO DERIVATIVES OF (1H)- PYRAZOLES AND THEIR USE IN THE TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION, WHICH INCLUDE, URINARY INCONTINENCE, HYPERTENSION, ASTHAMA, PREMATURE LABOR, IRRITABLE BOWL SYNDROM WYETH 2002-10-01 US disclosed
US-20020032198-A1 Diaminopyrazoles AMERICAN HOME PRODUCTS CORPORATION 2002-03-14 US disclosed
US-6319941-B1 TREATMENT OF SMOOTH MUSCLE SPASTICITY OR EXCESS MUSCLE CONTRACTION SUCH AS URGE URINARY INCONTINENCE AMERICAN HOME PRODUCTS CORPORATION 2001-11-20 US disclosed
US-6313149-B1 Diaminopyrazoles AMERICAN HOME PRODUCTS CORPORATION 2001-11-06 US disclosed
US-6172222-B1 Diaminopyrazoles AMERICAN HOME PRODUCTS CORPORATION 2001-01-09 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-20020032198-A1 Diaminopyrazoles ODC1, AOC1, CLIC1 GAA 3304/4885BCDIN3D 1405/4885P2RX7 2774/4885

“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.