Sugi Predict

Sugi Predict / Compounds / SCHEMBL5951698

SCHEMBL5951698

SCHEMBL5951698

Cc1cc(N)c(C(N)=O)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ IKBKB O14920 1/20 0.42
▸ TDP1 Q9NUW8 3/20 0.41
▸ SIRT3 Q9NTG7 1/20 0.41
▸ NNMT P40261 2/20 0.40
▸ BRD4 O60885 2/20 0.40
▸ MAPT P10636 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CD44 P16070 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ GABRP O00591 1/20 0.35
▸ GABRD O14764 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRB1 P18505 1/20 0.35

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
SCHEMBL31413282 1.00 MAPK1 (0.46) MAPK1CYP3A4TSHRIKBKBTDP1
SCHEMBL13885293 0.88 NNMT (0.43) MAPK1IKBKBTDP1SIRT3NNMT
SCHEMBL6748636 0.85 SIRT3 (0.46) TSHRTDP1SIRT3NNMTBRD4
SCHEMBL19269478 0.83 MAPK1 (0.39) MAPK1CYP3A4TSHRIKBKBTDP1
SCHEMBL5952534 0.83 CD44 (0.56) CYP3A4IKBKBTDP1SIRT3NNMT
SCHEMBL5951820 0.83 DGAT1 (0.40) IKBKBTDP1SIRT3NNMTBRD4
SCHEMBL2425588 0.83 GABRP (0.47) CYP3A4IKBKBTDP1NNMTBRD4
SCHEMBL5847055 0.82 IKBKB (0.50) MAPK1TSHRIKBKBTDP1BRD4
SCHEMBL5952158 0.81 NOS3 (0.40) MAPK1IKBKBTDP1SIRT3NNMT
SCHEMBL3269068 0.81 CYP3A4 (0.46) MAPK1CYP3A4TSHRTDP1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230140216-A1 COMBINATION THERAPY FOR TREATING MPS1 GAIN THERAPEUTICS SA (CH) 2023-05-04 — — US disclosed
US-20180072710-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX INC (US) 2018-03-15 — — US disclosed
US-9617227-B2 Process of preparing a quinazoline derivative SCINOPHARM (CHANGSHU) PHARMACEUTICALS, LTD. (CN) 2017-04-11 — — US disclosed
US-20170012218-A1 NEAR-ULTRAVIOLET STIMULATED LIGHT-EMITTING COMPOUND AND PRODUCTION METHOD FOR SAME NANO CMS CO., LTD. (KR) 2017-01-12 — — US disclosed
US-9440961-B2 Rho-kinase inhibitors and method of preparation SURFACE LOGIX, INC. (US) 2016-09-13 — — US disclosed
US-20160200688-A1 Process of Preparing a Quinazoline Derivative SCIANDA (CHANGSHU) PHARMACEUTICALS, LTD. (CN) 2016-07-14 — — US disclosed
US-8916576-B2 Pharmacokinetically improved compounds SURFACE LOGIX, INC. (US) 2014-12-23 — — US disclosed
US-20130131047-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX, INC. (US) 2013-05-23 — — US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 — — US disclosed
US-20120202793-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC 2012-08-09 — — US disclosed
WO-1996009294-A1 SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE THE WELLCOME FOUNDATION LIMITED (GB) 1996-03-28 — — WO disclosed
US-4191840-A Oxamic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1980-03-04 — — US disclosed
US-4160100-A OXAMIC ACID DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1979-07-03 — — US disclosed
US-4154961-A Oxamic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1979-05-15 — — US disclosed
US-4069343-A OXAMIC ACID DERIVATIVES FOR THE PREVENTION OF IMMEDIATE TYPE HYPERSENSITIVITY REACTIONS AMERICAN HOME PRODUCTS CORPORATION (US) 1978-01-17 — — US disclosed
US-4054661-A Pyridyl oxamic acid derivatives and use in the prevention of allergic reactions AMERICAN HOME PRODUCTS CORPORATION (US) 1977-10-18 — — US disclosed
US-4054666-A Compositions and methods of treating immediate hypersensitivity reactions with thiazolyl oxamic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1977-10-18 — — US disclosed
US-4054657-A Pyrimidinyl oxamic acids and esters, and compositions and methods for the suppression of allergic manifestations AMERICAN HOME PRODUCTS CORPORATION (US) 1977-10-18 — — US disclosed
US-4036837-A 2 Alkoxyoxamoyl-pyrazines AMERICAN HOME PRODUCTS CORPORATION (US) 1977-07-19 — — US disclosed
US-3966965-A Oxamic acid derivatives for the prevention of immediate type hypersensitivity reactions AMERICAN HOME PRODUCTS CORPORATION (US) 1976-06-29 — — 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 (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-20230140216-A1 COMBINATION THERAPY FOR TREATING MPS1 IDUA, MAN2B1, GBA1 MAPK1 4151/4885CYP3A4 1477/4885TSHR 1442/4885
US-20180072710-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 MAPK1 985/4885CYP3A4 207/4885TSHR 1818/4885
US-20160200688-A1 Process of Preparing a Quinazoline Derivative ABL1, EGFR, KRAS MAPK1 320/4885CYP3A4 185/4885TSHR 2894/4885
US-20130131047-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 MAPK1 985/4885CYP3A4 207/4885TSHR 1818/4885
US-20120202793-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA MAPK1 192/4885CYP3A4 1244/4885TSHR 2230/4885
US-20170012218-A1 NEAR-ULTRAVIOLET STIMULATED LIGHT-EMITTING COMPOUND AND PRODUCTION METHOD FOR SAME SUN2, TYR, SQLE MAPK1 1955/4885CYP3A4 18/4885TSHR 4390/4885

“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.