Sugi Predict

Sugi Predict / Compounds / SCHEMBL2186565

SCHEMBL2186565

SCHEMBL2186565

N#Cc1cc(Br)c2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.55
▸ CA2 P00918 3/20 0.55
▸ MEN1 O00255 1/20 0.47
▸ TTR P02766 1/20 0.47
▸ ALB P02768 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ XDH P47989 1/20 0.42
▸ SLC22A12 Q96S37 1/20 0.42
▸ TSHR P16473 1/20 0.39
▸ ENPP3 O14638 1/20 0.38
▸ CYP1B1 Q16678 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP1A1 P04798 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CLK1 P49759 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ KDM4E B2RXH2 2/20 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
SCHEMBL6367541 0.86 CA1 (0.46) CA1CA2MEN1TTRALB
SCHEMBL5397734 0.80 CA1 (0.42) CA1CA2MEN1KMT2ACYP1B1
SCHEMBL5092282 0.78 CA1 (0.53) CA1CA2ENPP3PTPN1PTPN2
SCHEMBL29482237 0.78 CA1 (0.56) CA1CA2XDHSLC22A12TSHR
SCHEMBL819485 0.78 CA1 (0.56) CA1CA2XDHSLC22A12TSHR
SCHEMBL7304752 0.78 CA1 (0.61) CA1CA2MEN1KMT2AXDH
SCHEMBL23087600 0.76 CA1 (0.59) CA1CA2XDHSLC22A12TSHR
SCHEMBL2185041 0.76 NQO2 (0.55) CA1CA2MEN1KMT2AXDH
SCHEMBL4078176 0.76 CA1 (0.55) CA1CA2XDHSLC22A12TSHR
SCHEMBL2641520 0.76 CA1 (0.55) CA1CA2MEN1KMT2AXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050182269-A1 Process for the preparation of 3-cyano-1-naphthoic acid and some analogues thereof ASTRAZENECA AB (SE) 2005-08-18 — — US claimed
EP-1517884-A1 A PROCESS FOR THE PREPARATION OF 3-CYANO-1-NAPHTHOIC ACID AND SOME ANALOGUES THEREOF AstraZeneca AB (SE) 2005-03-30 — — EP claimed
WO-2004000792-A1 A PROCESS FOR THE PREPARATION OF 3-CYANO-1-NAPHTHOIC ACID AND SOME ANALOGUES THEREOF ASTRAZENECA AB (SE) 2003-12-31 — — WO claimed
US-11548888-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2023-01-10 — — US disclosed
EP-4087573-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2022-11-16 — — EP disclosed
EP-3344604-B1 CARBOXY SUBSTITUTED (HETERO) AROMATIC RING DERIVATIVES AND PREPARATION METHOD AND USES THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2020-11-04 — — EP disclosed
US-20200331911-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2020-10-22 — — US disclosed
CN-106478500-B Carboxylic acid substituted (hetero) aromatic ring derivatives, and preparation method and application thereof 广东东阳光药业有限公司 2020-02-11 — — CN disclosed
US-10266496-B2 Carboxy substituted (hetero) aromatic ring derivatives and preparation method and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-04-23 — — US disclosed
EP-3344604-A1 CARBOXY SUBSTITUTED (HETERO) AROMATIC RING DERIVATIVES AND PREPARATION METHOD AND USES THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2018-07-11 — — EP disclosed
EP-2343279-B1 FUSED-RING DERIVATIVE AND MEDICAL APPLICATION OF SAME KISSEI PHARMACEUTICAL (JP) 2018-02-28 — — EP disclosed
WO-2017036404-A1 CARBOXY SUBSTITUTED (HETERO) AROMATIC RING DERIVATIVES AND PREPARATION METHOD AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-03-09 — — WO disclosed
CN-102186824-B Fused-ring derivative and medical application of same KISSEI PHARMACEUTICAL 2014-03-12 — — CN disclosed
US-8263622-B2 Fused-ring derivative and medical application of same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 — — US disclosed
CN-102186824-A Fused-ring derivative and medical application of same KISSEI PHARMACEUTICAL 2011-09-14 — — CN disclosed
US-20110207935-A1 FUSED-RING DERIVATIVE AND MEDICAL APPLICATION OF SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-08-25 — — US disclosed
EP-2343279-A1 FUSED-RING DERIVATIVE AND MEDICAL APPLICATION OF SAME Kissei Pharmaceutical Co., Ltd. (JP) 2011-07-13 — — EP disclosed
US-20050182269-A1 Process for the preparation of 3-cyano-1-naphthoic acid and some analogues thereof ASTRAZENECA AB (SE) 2005-08-18 — — US disclosed
EP-1517884-A1 A PROCESS FOR THE PREPARATION OF 3-CYANO-1-NAPHTHOIC ACID AND SOME ANALOGUES THEREOF AstraZeneca AB (SE) 2005-03-30 — — EP disclosed
WO-2004000792-A1 A PROCESS FOR THE PREPARATION OF 3-CYANO-1-NAPHTHOIC ACID AND SOME ANALOGUES THEREOF ASTRAZENECA AB (SE) 2003-12-31 — — 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 (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-20050182269-A1 Process for the preparation of 3-cyano-1-naphthoic acid and some analogues thereof CYP8B1, CYP51A1, NISCH CA1 777/4885CA2 606/4885MEN1 1011/4885
US-20110207935-A1 FUSED-RING DERIVATIVE AND MEDICAL APPLICATION OF SAME XDH, OAT, PON1 CA1 1528/4885CA2 1326/4885MEN1 1851/4885
US-11548888-B2 KRas G12C inhibitors KRAS, NRAS, HRAS CA1 3612/4885CA2 2065/4885MEN1 348/4885
US-20200331911-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS CA1 3612/4885CA2 2065/4885MEN1 348/4885
US-10266496-B2 Carboxy substituted (hetero) aromatic ring derivatives and preparation method and uses thereof XDH, ABCG2, SLC7A1 CA1 1706/4885CA2 470/4885MEN1 4506/4885

“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.