SCHEMBL3934745

SCHEMBL3934745

Nc1cccc2cc[nH]c(=O)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 1.00
RPS6KA3 P51812 1/20 1.00
MELK Q14680 1/20 1.00
STK24 Q9Y6E0 1/20 1.00
PARP1 P09874 6/20 0.53
RECQL P46063 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
AURKA O14965 1/20 0.52
AURKB Q96GD4 1/20 0.52
INCENP Q9NQS7 1/20 0.52
TYMS P04818 2/20 0.47
ALDH1A1 P00352 5/20 0.46
CHEK1 O14757 2/20 0.43
MAPT P10636 2/20 0.39
PDPK1 O15530 1/20 0.38
HSD17B10 Q99714 3/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP3A4 P08684 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 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
SCHEMBL3117561 0.76 JAK2 (0.61) JAK2RPS6KA3MELKSTK24PARP1
SCHEMBL6798992 0.76 JAK2 (0.61) JAK2RPS6KA3MELKSTK24PARP1
SCHEMBL168637 0.76 JAK2 (0.61) JAK2RPS6KA3MELKSTK24PARP1
SCHEMBL11775264 0.76 JAK2 (0.61) JAK2RPS6KA3MELKSTK24PARP1
SCHEMBL6306041 0.74 JAK2 (0.59) JAK2RPS6KA3MELKSTK24PARP1
SCHEMBL34467598 0.74 PDPK1 (0.62) JAK2RPS6KA3MELKSTK24PARP1
SCHEMBL24367974 0.73 JAK2 (0.58) JAK2RPS6KA3MELKSTK24PARP1
SCHEMBL23972210 0.73 JAK2 (0.58) JAK2RPS6KA3MELKSTK24PARP1
SCHEMBL65699 0.72 JAK2 (0.54) JAK2RPS6KA3MELKSTK24RECQL
SCHEMBL29349435 0.72 JAK2 (0.54) JAK2RPS6KA3MELKSTK24RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1009404-A4 METHODS FOR TREATING INFLAMMATION AND INFLAMMATORY DISEASES USING pADPRT INHIBITORS OCTAMER INC (US) 2009-07-01 EP claimed
EP-1009404-A1 METHODS FOR TREATING INFLAMMATION AND INFLAMMATORY DISEASES USING pADPRT INHIBITORS Octamer, Inc. (US) 2000-06-21 EP claimed
US-5908861-A Methods for treating inflammation and inflammatory disease using pADPRT inhibitors OCTAMER, INC. (US) 1999-06-01 US claimed
WO-1998051308-A1 METHODS FOR TREATING INFLAMMATION AND INFLAMMATORY DISEASES USING pADPRT INHIBITORS OCTAMER, INC. (US) 1998-11-19 WO claimed
WO-1998051307-A1 METHODS FOR TREATING INFLAMMATION, INFLAMMATORY DISEASES, ARTHRITIS AND STROKE USING pADPRT INHIBITORS OCTAMER, INC. (US) 1998-11-19 WO claimed
US-20230348456-A1 QUINAZOLINONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2023-11-02 US disclosed
US-20230348456-A1 QUINAZOLINONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2023-11-02 US disclosed
US-20230348456-A1 QUINAZOLINONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2023-11-02 US disclosed
EP-1009404-A4 METHODS FOR TREATING INFLAMMATION AND INFLAMMATORY DISEASES USING pADPRT INHIBITORS OCTAMER INC (US) 2009-07-01 EP disclosed
US-6303629-B1 TREATING ARTHRITIS IN AN ANIMAL OR MAMMAL BY ADMINISTERING TO AN ANIMAL OR MAMMAL A INHIBITOR OF NUCLEAR ENZYME POLY-ADP RIBOSE POLYMERASE (PADPRT) OCTAMER, INC. 2001-10-16 US disclosed
EP-1009404-A1 METHODS FOR TREATING INFLAMMATION AND INFLAMMATORY DISEASES USING pADPRT INHIBITORS Octamer, Inc. (US) 2000-06-21 EP disclosed
US-5908861-A Methods for treating inflammation and inflammatory disease using pADPRT inhibitors OCTAMER, INC. (US) 1999-06-01 US disclosed
WO-1998051308-A1 METHODS FOR TREATING INFLAMMATION AND INFLAMMATORY DISEASES USING pADPRT INHIBITORS OCTAMER, INC. (US) 1998-11-19 WO disclosed
WO-1998051307-A1 METHODS FOR TREATING INFLAMMATION, INFLAMMATORY DISEASES, ARTHRITIS AND STROKE USING pADPRT INHIBITORS OCTAMER, INC. (US) 1998-11-19 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-20230348456-A1 QUINAZOLINONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME CSNK1A1, CSNK1G1, CSNK1G3 JAK2 274/4885RPS6KA3 376/4885MELK 626/4885

“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.