SCHEMBL7790318

SCHEMBL7790318

CN(C(=O)OC(C)(C)C)c1ccc(C(=O)O)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.43
P4HTM Q9NXG6 8/20 0.43
KDM4E B2RXH2 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
P4HA1 P13674 1/20 0.41
MIF P14174 1/20 0.41
ALDH1A1 P00352 3/20 0.40
GPR119 Q8TDV5 1/20 0.39
BRD4 O60885 2/20 0.39
CREBBP Q92793 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37

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
SCHEMBL9556328 0.86 MAPK1 (0.49) PAX8KDM4EL3MBTL1MAPK1ALDH1A1
SCHEMBL1097834 0.81 PAX8 (0.44) PAX8KDM4EL3MBTL1BRD4CREBBP
SCHEMBL27791873 0.81 PAX8 (0.44) PAX8ALDH1A1BRD4CREBBPMEN1
SCHEMBL29081667 0.81 PAX8 (0.44) PAX8ALDH1A1BRD4CREBBPMEN1
SCHEMBL30615320 0.81 PAX8 (0.44) PAX8ALDH1A1BRD4CREBBPMEN1
SCHEMBL15061419 0.80 PAX8 (0.36) PAX8L3MBTL1BRD4CREBBPTDP1
SCHEMBL16011592 0.80 PAX8 (0.40) PAX8KDM4EL3MBTL1ALDH1A1BRD4
SCHEMBL11957647 0.79 OXTR (0.53) PAX8GPR119BRD4MEN1KMT2A
SCHEMBL16011581 0.79 PAX8 (0.40) PAX8KDM4EL3MBTL1ALDH1A1BRD4
SCHEMBL8018111 0.79 PAX8 (0.55) PAX8MAPK1BRD4CREBBPMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11358958-B2 2022-06-14 US disclosed
US-20210130340-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES KINNATE BIOPHARMA INC. 2021-05-06 US disclosed
EP-3813819-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES Kinnate Biopharma Inc. (US) 2021-05-05 EP disclosed
CN-112638373-A Cyclin-dependent kinase inhibitors 金耐特生物制药公司 2021-04-09 CN disclosed
US-10894788-B2 Inhibitors of cyclin-dependent kinases KINNATE BIOPHARMA INC. (US) 2021-01-19 US disclosed
US-6310061-B2 OPIOID RECEPTOR SUBTYPE KAPPA; USE AS ANALGESIC, ANESTHETIC, ANTIINFLAMMATORY OR NEUROPROTECTIVE AGENT, FOR TREATMENT OF ARTHRITIS, STROKE OR FUNCTIONAL BOWEL DISEASE; REDUCED DRUG DEPENDENCY SIDE EFFECTS PFIZER INC. 2001-10-30 US disclosed
US-6307061-B2 USEFUL AS AN ANALGESIC, ANESTHETIC, ANTI-INFLAMMATORY OR NEUROPROTECIVE AGENT PFIZER INC. 2001-10-23 US disclosed
US-6294557-B1 ANALGESIC AT CENTRAL NERVOUS SYSTEM IN THE MAMMALIAN SUBJECT. ALSO, THESE COMPOUNDS ARE INFLAMMATORY PAIN CAUSED, FOR EXAMPLE BY BURNS (INDUCED BY A CONTACT WITH HEAT, ACID OR THE OTHER RHEUMATISM OR THE LIKE, IN THE SAID SUBJECT. PFIZER INC. 2001-09-25 US disclosed
US-20010014683-A1 Analgesics; side effect reduction ITO FUMITAKA (JP) 2001-08-16 US disclosed
US-20010008890-A1 Useful as analgesic, anesthetic, antiinflammatory or neuroprotective agents and in treatment of arthritis, stroke, bowel disease ITO FUMITAKA (JP) 2001-07-19 US disclosed
US-5187167-A Antitumor agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-16 US disclosed
US-5081124-A Amino acid and polyamino acid derivatives, inhibitors of thymidylate synthetase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-14 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 (5 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-11358958-B2 CDK2, CDK1, CDK6 PAX8 2679/4885P4HTM 3355/4885KDM4E 1178/4885
US-20210130340-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK2, CCNK, CDK1 PAX8 3338/4885P4HTM 3652/4885KDM4E 1278/4885
US-10894788-B2 Inhibitors of cyclin-dependent kinases CDK2, CCNK, CDK1 PAX8 3338/4885P4HTM 3652/4885KDM4E 1278/4885
US-20010014683-A1 Analgesics; side effect reduction OPRL1, OPRK1, OPRD1 PAX8 3886/4885P4HTM 588/4885KDM4E 1884/4885
US-20010008890-A1 Useful as analgesic, anesthetic, antiinflammatory or neuroprotective agents and in treatment of arthritis, stroke, bowel disease OPRL1, NAP1L1, OPRK1 PAX8 3665/4885P4HTM 1080/4885KDM4E 2860/4885

“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.