SCHEMBL8986293

SCHEMBL8986293

c1cncc(Cc2ccc[nH]2)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.64
▸ HRH4 Q9H3N8 3/20 0.64
▸ MMP2 P08253 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CHRNA7 P36544 1/20 0.44
▸ CHRNB2 P17787 2/20 0.43
▸ CHRNA4 P43681 2/20 0.43
▸ CYP11B1 P15538 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ CYP2A6 P11509 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ NAPRT Q6XQN6 1/20 0.42
▸ TBXAS1 P24557 1/20 0.41

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
Pyridine SCHEMBL28133711 0.81 HRH3 (0.50) HRH3HRH4CYP1A2CYP2D6TAAR1
Pyridine SCHEMBL28192678 0.80 HRH3 (0.49) HRH3HRH4TAAR1
Niacin SCHEMBL28160298 0.79 GAA (0.57) HRH3HRH4TAAR1NAPRTTBXAS1
SCHEMBL20117842 0.79 HRH3 (0.55) HRH3HRH4CYP11B1CYP11B2TAAR1
SCHEMBL727185 0.77 CYP1A2 (0.62) HRH3HRH4MMP2CYP1A2CYP2D6
SCHEMBL1108477 0.76 TAAR1 (0.50) HRH3TAAR1
Hydrochloric Acid SCHEMBL27287864 0.74 TAAR1 (0.48) HRH3TAAR1
SCHEMBL27784844 0.74 HRH3 (0.40) HRH3HRH4CYP11B1CYP11B2TAAR1
SCHEMBL31688985 0.73 TAAR1 (0.68) HRH3HRH4MMP2CYP1A2CYP2D6
SCHEMBL6168636 0.73 TAAR1 (0.68) HRH3HRH4MMP2CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220024869-A1 GRP94 SELECTIVE INHIBITORS AND USES THEREOF UNIVERSITY OF KANSAS 2022-01-27 — — US disclosed
US-10975030-B2 Grp94 selective inhibitors and uses thereof UNIVERSITY OF KANSAS (US) 2021-04-13 — — US disclosed
US-10975030-B2 Grp94 selective inhibitors and uses thereof UNIVERSITY OF KANSAS (US) 2021-04-13 — — US disclosed
US-20200071271-A1 GRP94 SELECTIVE INHIBITORS AND USES THEREOF UNIVERSITY OF SOUTH FLORIDA 2020-03-05 — — US disclosed
US-20200071271-A1 GRP94 SELECTIVE INHIBITORS AND USES THEREOF UNIVERSITY OF SOUTH FLORIDA 2020-03-05 — — US disclosed
CN-105980603-B The forming method of etching solution, bulking liquor and thin copper film MEC股份有限公司 2019-11-22 — — CN disclosed
CN-109956942-A Tryptamines ketones derivant and application thereof 上海翔锦生物科技有限公司 2019-07-02 — — CN disclosed
CN-107112587-B Solid state secondary battery, solid electrolyte composition, battery electrode sheet 富士胶片株式会社 2019-03-19 — — CN disclosed
WO-2018081814-A1 GRP94 SELECTIVE INHIBITORS AND USES THEREOF UNIVERSITY OF KANSAS (US) 2018-05-03 — — WO disclosed
CN-107208279-A The forming method of etching solution, bulking liquor and thin copper film MEC股份有限公司 2017-09-26 — — CN disclosed
CN-107112587-A Solid state secondary battery, solid electrolyte composition and battery electrode sheet and battery electrode sheet and the manufacture method of solid state secondary battery for the solid state secondary battery 富士胶片株式会社 2017-08-29 — — CN disclosed
CN-105980603-A Etching liquid, replenishing liquid, and method for forming copper wiring MEC股份有限公司 2016-09-28 — — CN disclosed
EP-0717311-A1 Photographic elements comprising contrast promoting agents SUN CHEMICAL CORPORATION (US) 1996-06-19 — — EP disclosed
US-5451486-A Silver halide photographic film with nucleation agent SUN CHEMICAL CORPORATION (US) 1995-09-19 — — 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 (3 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-20200071271-A1 GRP94 SELECTIVE INHIBITORS AND USES THEREOF GRPR, HSP90B1, HSPE1 HRH3 2520/4885HRH4 1815/4885MMP2 752/4885
US-20220024869-A1 GRP94 SELECTIVE INHIBITORS AND USES THEREOF GRPR, HSP90B1, HSPE1 HRH3 2520/4885HRH4 1815/4885MMP2 752/4885
US-10975030-B2 Grp94 selective inhibitors and uses thereof GRPR, HSP90B1, HSPE1 HRH3 2520/4885HRH4 1815/4885MMP2 752/4885

“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.

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