SCHEMBL8513222

SCHEMBL8513222

FC(F)(F)n1ccc2cccnc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
CYP2C19 P33261 2/20 0.42
CDC7 O00311 1/20 0.42
CDK2 P24941 1/20 0.42
SLC22A12 Q96S37 7/20 0.41
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MTNR1A P48039 1/20 0.38
RAPGEF4 Q8WZA2 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
ENPP1 P22413 1/20 0.36
KDM4E B2RXH2 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
GMNN O75496 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
SCHEMBL29604551 1.00 PARP1 (0.46) PARP1CYP2C19CDC7CDK2SLC22A12
Tert-Butyl Formate SCHEMBL28322954 0.84 PARP1 (0.38) PARP1CYP2C19CDC7CDK2SLC22A12
SCHEMBL4076727 0.81 PARP1 (0.46) PARP1CYP2C19CDC7CDK2SLC22A12
SCHEMBL13597596 0.78 PARP1 (0.44) PARP1CYP2C19CDC7CDK2SLC22A12
SCHEMBL30313295 0.77 CYP2C19 (0.46) PARP1CYP2C19CDC7CDK2SLC22A12
SCHEMBL24597088 0.75 ATM (0.44) PARP1CYP2C19CDC7CDK2SLC22A12
SCHEMBL12115799 0.75 PARP1 (0.41) PARP1CYP2C19CDC7CDK2SLC22A12
SCHEMBL28822882 0.74 PARP1 (0.55) PARP1CYP2C19CDC7CDK2SLC22A12
SCHEMBL29865575 0.74 PARP1 (0.55) PARP1CYP2C19CDC7CDK2SLC22A12
SCHEMBL28337522 0.70 CDC7 (0.48) PARP1CYP2C19CDC7CDK2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11117892-B2 Pyrrolo-pyridine derivative compound, method for preparing same, and pharmaceutical composition containing same as active ingredient for prevention or treatment of protein kinase-related diseases DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION 2021-09-14 US disclosed
US-20200207756-A1 PYRROLO-PYRIDINE DERIVATIVE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF PROTEIN KINASE-RELATED DISEASES DAEGU GYEONGBUK INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2020-07-02 US disclosed
CN-110121499-A (aza) indole-, benzothiophene-and benzofuran-3-sulfonamides 优时比制药有限公司 2019-08-13 CN disclosed
CN-109942575-A Pyrrolopyridine as kinase inhibitor 阵列生物制药公司 2019-06-28 CN disclosed
CN-104926810-B Pyrrolopyridine as kinase inhibitor 阵列生物制药公司 2019-02-19 CN disclosed
EP-3268373-A1 TRICYCLIC DLK INHIBITORS AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2018-01-17 EP disclosed
CN-106715416-A Methyl-and trifluoromethyl-substituted pyrrolopyridine modulators of RORC2 and methods of use thereof 辉瑞大药厂 2017-05-24 CN disclosed
WO-2016142310-A1 TRICYCLIC DLK INHIBITORS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2016-09-15 WO disclosed
CN-104926810-A Pyrrolopyridines As Kinase Inhibitors ARRAY BIOPHARMA INC 2015-09-23 CN disclosed
CN-102089307-B Pyrrolopyridines as kinase inhibitors ARRAY BIOPHARMA INC 2015-07-01 CN disclosed
US-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-05-31 US disclosed
CN-102089307-A Pyrrolopyridines as kinase inhibitors ARRAY BIOPHARMA INC 2011-06-08 CN 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-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT EIF2AK2, MAVS, ZC3HAV1 PARP1 446/4885CYP2C19 4148/4885CDC7 1009/4885
US-11117892-B2 Pyrrolo-pyridine derivative compound, method for preparing same, and pharmaceutical composition containing same as active ingredient for prevention or treatment of protein kinase-related diseases DYRK1A, DYRK2, DYRK1B PARP1 1720/4885CYP2C19 3333/4885CDC7 526/4885
US-20200207756-A1 PYRROLO-PYRIDINE DERIVATIVE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF PROTEIN KINASE-RELATED DISEASES DYRK1A, DYRK2, DYRK4 PARP1 1708/4885CYP2C19 3176/4885CDC7 565/4885

“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.