SCHEMBL19044281

SCHEMBL19044281

COC(=O)c1cc2n(n1)CCCC2=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP2C19 P33261 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.46
POLB P06746 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
PLAT P00750 1/20 0.36
CYP11B2 P19099 1/20 0.36
THRB P10828 1/20 0.34
LMNA P02545 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
SCHEMBL24925263 0.84 CYP1A2 (0.43) CYP1A2ALDH1A1CYP2C19SMN1; SMN2MEN1
SCHEMBL25594845 0.83 CYP1A2 (0.44) CYP1A2ALDH1A1CYP2C19SMN1; SMN2MEN1
SCHEMBL1008113 0.81 CYP1A2 (0.48) CYP1A2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6381453 0.81 ALDH1A1 (0.42) CYP1A2ALDH1A1CYP2C19SMN1; SMN2MEN1
SCHEMBL15273696 0.80 ALDH1A1 (0.41) CYP1A2ALDH1A1CYP2C19SMN1; SMN2MEN1
SCHEMBL3127245 0.79 ALDH1A1 (0.46) CYP1A2ALDH1A1CYP2C19SMN1; SMN2MEN1
SCHEMBL6381168 0.77 CYP1A2 (0.44) CYP1A2ALDH1A1CYP2C19SMN1; SMN2POLB
SCHEMBL3129684 0.76 ALDH1A1 (0.46) CYP1A2ALDH1A1CYP2C19SMN1; SMN2MEN1
SCHEMBL22275219 0.76 ALDH1A1 (0.43) CYP1A2ALDH1A1CYP2C19SMN1; SMN2MEN1
SCHEMBL22716058 0.75 CDC7 (0.49) CYP1A2ALDH1A1CYP2C19SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12583858-B2 TDO2 inhibitors GENENTECH, INC. (US) 2026-03-24 US disclosed
EP-3394068-B1 TDO2 INHIBITORS GENENTECH INC (US) 2024-09-11 EP disclosed
US-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS SCHRÖDINGER, INC. 2023-06-01 US disclosed
WO-2023086319-A1 6-HE TERO ARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2023-05-19 WO disclosed
US-20230014226-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2023-01-19 US disclosed
US-20230014226-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2023-01-19 US disclosed
US-20220306635-A1 TDO2 Inhibitors GENENTECH, INC. 2022-09-29 US disclosed
WO-2022140527-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed
WO-2022129913-A1 ALKYNE DERIVATIVES AS INHIBITORS OF C-ABL BENEVOLENTAI BIO LIMITED (GB) 2022-06-23 WO disclosed
EP-3986559-A1 NEW COMPOUNDS AND METHODS BenevolentAI Bio Limited (GB) 2022-04-27 EP disclosed
CN-114340734-A Novel compounds and methods 博善人工智能生物科技有限公司 2022-04-12 CN disclosed
WO-2020260871-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2020-12-30 WO disclosed
US-10800780-B2 TDO2 Inhibitors GENENTECH, INC. (US) 2020-10-13 US disclosed
US-10800780-B2 TDO2 Inhibitors GENENTECH, INC. (US) 2020-10-13 US disclosed
US-20190016726-A1 TDO2 Inhibitors PHARMARON BEIJING CO. LTD. (CN) 2019-01-17 US disclosed
US-20190016726-A1 TDO2 Inhibitors PHARMARON BEIJING CO. LTD. (CN) 2019-01-17 US disclosed
WO-2017107979-A1 TDO2 INHIBITORS GENENTECH, INC. (US) 2017-06-29 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 (6 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-12583858-B2 TDO2 inhibitors TDO2, IDO2, TPH2 CYP1A2 60/4885ALDH1A1 1758/4885CYP2C19 160/4885
US-20190016726-A1 TDO2 Inhibitors TDO2, IDO2, IDO1 CYP1A2 154/4885ALDH1A1 2096/4885CYP2C19 435/4885
US-20230014226-A1 NEW COMPOUNDS AND METHODS ABL2, ABL1, ALK CYP1A2 957/4885ALDH1A1 651/4885CYP2C19 620/4885
US-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B CYP1A2 3220/4885ALDH1A1 3735/4885CYP2C19 2386/4885
US-20220306635-A1 TDO2 Inhibitors TDO2, IDO2, IDO1 CYP1A2 79/4885ALDH1A1 1849/4885CYP2C19 439/4885
US-10800780-B2 TDO2 Inhibitors TDO2, IDO2, IDO1 CYP1A2 154/4885ALDH1A1 2096/4885CYP2C19 435/4885

“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.