SCHEMBL6603014

SCHEMBL6603014

CCOc1cc(-c2ccccc2)nn1CCO

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.44
TP53 P04637 1/20 0.42
MDM2 Q00987 1/20 0.42
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 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
SCHEMBL6601551 0.81 LTA4H (0.45) ALDH1A1SMN1; SMN2TP53RAB9ANPC1
SCHEMBL4889199 0.77 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2POLBHTTRAB9A
SCHEMBL6798735 0.76 TP53 (0.40) ALDH1A1SMN1; SMN2POLBHTTTP53
SCHEMBL6602658 0.76 HPGD (0.42) ATMALDH1A1SMN1; SMN2POLBTP53
SCHEMBL6804874 0.76 L3MBTL1 (0.40) ALDH1A1SMN1; SMN2POLBHTTTP53
SCHEMBL6605678 0.76 KMT2A (0.40) ALDH1A1HTTTP53MDM2L3MBTL1
SCHEMBL6618274 0.76 HTR1B (0.42) ALDH1A1SMN1; SMN2POLBHTTTP53
SCHEMBL9877851 0.75 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2POLBTP53MDM2
SCHEMBL21986617 0.75 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2POLBHTTMAPK1
SCHEMBL6616088 0.75 KDM4E (0.45) ALDH1A1SMN1; SMN2POLBHTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040180891-A1 Pyrazole derivatives useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION 2004-09-16 US disclosed
EP-1432689-A1 PYRAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS Bayer Corporation (US) 2004-06-30 EP disclosed
WO-2004011446-A1 INDANE, DIHYDROBENZOFURAN, AND TETRAHYDRONAPHTHALENE CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ANTIDIABETICS BAYER PHARMACEUTICALS CORPORATION (US) 2004-02-05 WO disclosed
WO-2003027074-A1 PYRAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 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 (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-20040180891-A1 Pyrazole derivatives useful in the treatment of hyper-proliferative disorders MKI67, CDK4, FLT4 ATM 1451/4885ALDH1A1 758/4885SMN1; SMN2 4654/4885

“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.