Sugi Predict

Sugi Predict / Compounds / SCHEMBL11236770

SCHEMBL11236770

SCHEMBL11236770

CCc1cnccc1C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 5/20 0.44
▸ KDM6B O15054 4/20 0.44
▸ HSD17B1 P14061 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KDM4A O75164 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KDM4D Q6B0I6 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ SIRT3 Q9NTG7 1/20 0.40
▸ HASPIN Q8TF76 1/20 0.40
▸ CYP2E1 P05181 1/20 0.38
▸ CYP2C8 P10632 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38

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
SCHEMBL115648 0.84 KDM4C (0.56) KDM4CKDM6BKDM4EALDH1A1TDP1
SCHEMBL3818724 0.84 TDP1 (0.44) KDM4CKDM6BHSD17B1KDM4EALDH1A1
SCHEMBL30100781 0.84 KDM4C (0.56) KDM4CKDM6BKDM4EALDH1A1TDP1
SCHEMBL1026384 0.82 KDM4C (0.42) KDM4CKDM6BKDM4EALDH1A1TDP1
Hydrochloric Acid SCHEMBL1026385 0.82 KDM4C (0.54) KDM4CKDM6BKDM4EALDH1A1TDP1
SCHEMBL8594489 0.82 TDP1 (0.56) KDM4CKDM6BKDM4EALDH1A1TDP1
SCHEMBL10174703 0.79 KDM4C (0.41) KDM4CKDM6BKDM4EALDH1A1TDP1
SCHEMBL3025518 0.79 KDM4C (0.44) KDM4CKDM6BKDM4EALDH1A1TDP1
SCHEMBL9846151 0.79 KDM4C (0.37) KDM4CKDM6BKDM4EALDH1A1TDP1
SCHEMBL14618137 0.79 KDM4C (0.44) KDM4CKDM6BKDM4EALDH1A1TDP1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11192866-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-12-07 — — US disclosed
EP-2865446-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL KANTO KAGAKU (JP) 2021-09-22 — — EP disclosed
EP-3138831-B1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF HARVARD COLLEGE (US) 2020-07-08 — — EP disclosed
US-9936700-B2 Substituted quinoxaline derivatives as pest control agent BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-10 — — US disclosed
EP-3138831-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF President and Fellows of Harvard College (US) 2017-03-08 — — EP disclosed
US-20160340325-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-24 — — US disclosed
US-20160304506-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-10-20 — — US disclosed
EP-3060557-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AS PEST CONTROL AGENT Bayer CropScience Aktiengesellschaft (DE) 2016-08-31 — — EP disclosed
US-20160227779-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AS PEST CONTROL AGENT BRETSCHNEIDER, NIKLAS TIM (DE) 2016-08-11 — — US disclosed
EP-1753713-B1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF HARVARD COLLEGE (US) 2016-07-27 — — EP disclosed
US-4338446-A Di-(lower-alkyl)hydroxy-[2-oxo-2-(pyridinyl)ethyl]-propanedioates STERLING DRUG INC. (US) 1982-07-06 — — US disclosed
US-4305943-A 4-Amino-6-(pyridinyl)-3(2H)-pyridazinones and their use as cardiotonics STERLING DRUG INC. (US) 1981-12-15 — — US disclosed
US-4304776-A 4-Substituted-6-(pyridinyl)-3(2h)-pyridazinones and their use as intermediates and cardiotonics STERLING DRUG INC. (US) 1981-12-08 — — US disclosed
US-4225715-A Preparation of 3-amino(or carbamyl)-5-(pyridinyl)-2(1H)-pyridinones STERLING DRUG INC. (US) 1980-09-30 — — US disclosed
US-4199586-A Di-(lower-alkyl) N-[1,2-dihydro-2-oxo-5-(pyridinyl)-3-pyridinyl]amino-methylanemalonates STERLING DRUG INC. (US) 1980-04-22 — — US disclosed
US-4137233-A 1,2-Dihydro-2-oxo-5-(pyridinyl)nicotinamides STERLING DRUG INC. (US) 1979-01-30 — — US disclosed
US-4107315-A 5-(Pyridinyl)-2(1H)-pyridinones STERLING DRUG INC. (US) 1978-08-15 — — US disclosed
US-4072746-A CARDIOTONIC AGENTS STERLING DRUG INC. (US) 1978-02-07 — — US disclosed
US-4004012-A 3-Cyano-5-(pyridinyl)-2(1H)-pyridinones STERLING DRUG INC. (US) 1977-01-18 — — US disclosed
US-3979400-A OXIDATION OF A PYRIDINE REILLY TAR & CHEMICAL CORPORATION (US) 1976-09-07 — — 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 (4 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-11192866-B2 Synthesis of tetracyclines and analogues thereof TET1, TET3, MYC KDM4C 2646/4885KDM6B 2267/4885HSD17B1 1662/4885
US-20160227779-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AS PEST CONTROL AGENT CHRM1, CHRM2, ACHE KDM4C 438/4885KDM6B 890/4885HSD17B1 4669/4885
US-20160304506-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 KDM4C 1410/4885KDM6B 3055/4885HSD17B1 3457/4885
US-20160340325-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC KDM4C 2646/4885KDM6B 2267/4885HSD17B1 1662/4885

“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.