SCHEMBL4459170

SCHEMBL4459170

N=C(N)c1ncc(F)cc1F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.34
DPP9 Q86TI2 1/20 0.34
BACE1 P56817 4/20 0.33
VRK1 Q99986 1/20 0.30
AGBL2 Q5U5Z8 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
Hydrochloric Acid SCHEMBL3143277 0.98 DPP4 (0.33) DPP4DPP9BACE1
Acetic Acid SCHEMBL15094229 0.89 AGBL2 (0.38) DPP4DPP9BACE1AGBL2
SCHEMBL1315200 0.81 ALDH1A1 (0.42) DPP4DPP9BACE1AGBL2ALDH1A1
SCHEMBL30641925 0.79 DPP4 (0.39) DPP4DPP9BACE1AGBL2
SCHEMBL4326940 0.79 DPP4 (0.39) DPP4DPP9BACE1AGBL2
Hydrochloric Acid SCHEMBL28375765 0.78 DPP4 (0.39) DPP4DPP9BACE1AGBL2
SCHEMBL640600 0.76 NPSR1 (0.41) DPP4DPP9BACE1
SCHEMBL31028011 0.76 NPSR1 (0.41) DPP4DPP9BACE1
SCHEMBL640601 0.76 NPSR1 (0.41) DPP4DPP9BACE1
SCHEMBL640602 0.76 HDAC3 (0.32) DPP4DPP9BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases Janssen Sciences Ireland Unlimited Company (IE) 2021-07-06 US disclosed
US-20200048242-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2020-02-13 US disclosed
EP-2892893-B2 6-AMINO ACID HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2019-10-16 EP disclosed
EP-2892893-B1 6-AMINO ACID HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2016-12-21 EP disclosed
US-9447086-B2 6-amino acid heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-09-20 US disclosed
CN-104302626-B 4, 4-disubstituted-1, 4-dihydropyrimidines and their use as medicaments for the treatment of hepatitis b 爱尔兰詹森科学公司 2016-09-07 CN disclosed
US-20160237078-A9 NOVEL 6-AMINO ACID HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-08-18 US disclosed
EP-2800742-B1 4,4-DISUBSTITUTED-1,4-DIHYDROPYRIMIDINES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2016-04-06 EP disclosed
US-9233933-B2 4,4-disubstituted-1,4-dihydropyrimidines and the use thereof as medicaments for the treatment of hepatitis B JANSSEN SCIENCES IRELAND UC (IE) 2016-01-12 US disclosed
EP-2892893-A1 6-AMINO ACID HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F.HOFFMANN-LA ROCHE AG (CH) 2015-07-15 EP disclosed
US-20070117812-A1 Dihydropyrimidines BAYER AKTIENGESELLSCHAFT (DE) 2007-05-24 US disclosed
US-20040167135-A1 Dihydropyrimidines BAYER AKTIENGESELLSCHAFT (DE) 2004-08-26 US disclosed
US-6696451-B1 NITROGEN COMPOUND SUCH AS ETHYL-4-(2-BROMOPHENYL)-2-(3-FLUORO PYRIDIN-2-YL)-6-METHYL-1,4-DIHYDROPYRIMIDIN-5-CARBOXYLATE, USED FOR THE PROPHYLAXIS OF VIRAL DISEASES SUCH AS HEPATITIS BAYER AKTIENGESELLSCHAFT (DE) 2004-02-24 US disclosed
EP-1080086-B1 DIHYDROPYRIMIDINES BAYER AG (DE) 2002-09-04 EP disclosed
WO-2001068642-A1 DIHYDROPYRIMIDINES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B BAYER AKTIENGESELLSCHAFT (DE) 2001-09-20 WO disclosed
WO-2001068647-A1 MEDICAMENTS AGAINST VIRAL DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2001-09-20 WO disclosed
WO-2001068641-A1 6-AMINOALKYL-DIHYDROPYRIMIDINES AND THE USE THEREOF AS MEDICAMENTS AGAINST VIRAL DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2001-09-20 WO disclosed
WO-2001068639-A1 DIHYDROPYRIMIDINE-5-CARBOXYLIC ACID ESTERS AND USE THEREOF AS MEDICAMENTS AGAINST VIRAL DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2001-09-20 WO disclosed
EP-1080086-A1 DIHYDROPYRIMIDINES BAYER AG (DE) 2001-03-07 EP disclosed
WO-1999054326-A1 DIHYDROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 1999-10-28 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-20160237078-A9 NOVEL 6-AMINO ACID HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION CYP2B6, HAVCR2, CYP2D6 DPP4 578/4885DPP9 506/4885BACE1 3718/4885
US-20040167135-A1 Dihydropyrimidines DPYD, DHFR, DHPS DPP4 741/4885DPP9 1022/4885BACE1 2460/4885
US-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases DPYD, TYMP, HAVCR2 DPP4 267/4885DPP9 589/4885BACE1 1092/4885
US-20200048242-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, HAVCR2, TYMP DPP4 337/4885DPP9 399/4885BACE1 1179/4885
US-20070117812-A1 Dihydropyrimidines DPYD, DHFR, TYMP DPP4 409/4885DPP9 509/4885BACE1 2599/4885

“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.