SCHEMBL8240107

SCHEMBL8240107

CCc1ccc2cnncc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
CYP2A6 P11509 1/20 0.56
TRPA1 O75762 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
DAO P14920 1/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
PTK2B Q14289 1/20 0.37
ELANE P08246 1/20 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
SCHEMBL14418568 0.83 CNR1 (0.44) CYP1A2CYP2A6NPC1RAB9AALDH1A1
SCHEMBL347592 0.80 CYP2A6 (0.80) CYP1A2CYP2A6TRPA1AKR1C3AKR1C2
SCHEMBL29407167 0.80 CYP2A6 (0.80) CYP1A2CYP2A6TRPA1AKR1C3AKR1C2
SCHEMBL14493551 0.79 SKP2 (0.46) CYP1A2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14493552 0.78 TLR8 (0.46) ALDH1A1LMNAL3MBTL1
SCHEMBL29475635 0.78 CYP2A6 (0.76) CYP1A2CYP2A6TRPA1AKR1C3AKR1C2
SCHEMBL1878783 0.78 CYP2A6 (0.76) CYP1A2CYP2A6TRPA1AKR1C3AKR1C2
SCHEMBL14493613 0.77 IDO1 (0.41) CYP1A2CYP2A6ALDH1A1
SCHEMBL22315164 0.77 ALDH1A1 (0.33) CYP1A2CYP2A6ALDH1A1
SCHEMBL29076155 0.77 CYP1A2 (0.61) CYP1A2CYP2A6TRPA1AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11638706-B2 Methods for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2023-05-02 US disclosed
EP-3892618-A1 4-PYRIDINYL FORMAMIDE COMPOUND OR DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF Qingdao KingAgroot Chemical Compound Co., Ltd. (CN) 2021-10-13 EP disclosed
US-20210275526-A1 METHODS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2021-09-09 US disclosed
US-11091462-B2 (Hetero)arylamide compound for inhibiting protein kinase activity SHENZHEN TARGETRX, INC. (CN) 2021-08-17 US disclosed
US-10874672-B2 Methods for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2020-12-29 US disclosed
US-20200377473-A9 (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY SHENZHEN TARGETRX, INC. (CN) 2020-12-03 US disclosed
US-20200370043-A1 METHODS FOR MODIFYING RNA SPLICING PTC THERAPEUTICS, INC. (US) 2020-11-26 US disclosed
US-20190000844-A1 METHODS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2019-01-03 US disclosed
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 US disclosed
US-7229753-B2 Photothermographic material and method for forming images FUJIFILM CORPORATION (JP) 2007-06-12 US disclosed
US-7229753-B2 Photothermographic material and method for forming images FUJIFILM CORPORATION (JP) 2007-06-12 US disclosed
US-7223531-B2 Photothermographic material FUJIFILM CORPORATION (JP) 2007-05-29 US disclosed
US-7223531-B2 Photothermographic material FUJIFILM CORPORATION (JP) 2007-05-29 US disclosed
US-7208264-B2 Photothermographic material and method of forming images FUJIFILM CORPORATION (JP) 2007-04-24 US disclosed
US-7208264-B2 Photothermographic material and method of forming images FUJIFILM CORPORATION (JP) 2007-04-24 US disclosed
US-20070003882-A9 Photothermographic material, and image forming method using same FUKUI KOUTA 2007-01-04 US disclosed
US-20070003882-A9 Photothermographic material, and image forming method using same FUKUI KOUTA 2007-01-04 US disclosed
US-20070003884-A1 Photothermographic material FUJI PHOTO FILM CO., LTD. (JP) 2007-01-04 US disclosed
US-20070003884-A1 Photothermographic material FUJI PHOTO FILM CO., LTD. (JP) 2007-01-04 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 (8 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-20210275526-A1 METHODS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, FH CYP1A2 2524/4885CYP2A6 2557/4885TRPA1 4396/4885
US-11091462-B2 (Hetero)arylamide compound for inhibiting protein kinase activity MAP2K2, MAP2K5, MAP2K4 CYP1A2 1312/4885CYP2A6 1247/4885TRPA1 1736/4885
US-20190000844-A1 METHODS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, FH CYP1A2 2524/4885CYP2A6 2557/4885TRPA1 4396/4885
US-20200370043-A1 METHODS FOR MODIFYING RNA SPLICING RBM17, SNRPE, SNRPA1 CYP1A2 2720/4885CYP2A6 2870/4885TRPA1 4451/4885
US-20200377473-A9 (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY MAP2K2, MAP2K4, MAP2K5 CYP1A2 1296/4885CYP2A6 1251/4885TRPA1 1682/4885
US-10874672-B2 Methods for treating Huntington's disease HTT, HYPK, FH CYP1A2 2524/4885CYP2A6 2557/4885TRPA1 4396/4885
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 CYP1A2 4793/4885CYP2A6 4772/4885TRPA1 4883/4885
US-11638706-B2 Methods for treating Huntington's disease HTT, HYPK, FH CYP1A2 2524/4885CYP2A6 2557/4885TRPA1 4396/4885

“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.