SCHEMBL676001

SCHEMBL676001

BrCc1ccc(-c2ccccn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.50
▸ LMNA P02545 3/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CCR1 P32246 2/20 0.50
▸ CCR5 P51681 2/20 0.50
▸ CCR8 P51685 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ METAP1 P53582 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ DOHH Q9BU89 1/20 0.50
▸ P4HTM Q9NXG6 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP19A1 P11511 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ CYP2A6 P11509 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ TRPA1 O75762 1/20 0.44
▸ TSHR P16473 1/20 0.44

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
SCHEMBL38650638 1.00 KDM4E (0.50) KDM4ELMNACYP1A2CCR1CCR5
Hydrochloric Acid SCHEMBL7056332 0.98 CYP1A2 (0.49) KDM4ELMNACYP1A2CCR1CCR5
SCHEMBL5570130 0.98 CYP1A2 (0.49) KDM4ELMNACYP1A2CCR1CCR5
SCHEMBL28850621 0.91 MEN1 (0.48) KDM4ELMNACYP1A2CCR1CCR5
SCHEMBL9848049 0.88 KDM4E (0.60) KDM4ELMNACYP1A2CCR1CCR5
SCHEMBL27521956 0.85 TDP1 (0.48) KDM4ELMNACYP1A2CCR1CCR5
Oxazole SCHEMBL11314215 0.84 CYP1A2 (0.39) KDM4ELMNACYP1A2CCR1CCR5
SCHEMBL7052857 0.83 TSHR (0.44) KDM4ELMNACYP1A2CCR1CCR5
SCHEMBL4812728 0.83 CCR1 (0.50) KDM4ELMNACYP1A2CCR1CCR5
SCHEMBL30989133 0.82 KDM4E (0.72) KDM4ELMNACYP1A2CCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0979820-B1 2-Phenylpyridine derivatives and production method thereof SUMIKA FINE CHEMICALS CO LTD (JP) 2003-05-07 — — EP claimed
US-6268503-B1 REACTING 2-(4-BROMOMETHYLPHENYL)PYRIDINE SALT OR 2-(4-DIBROMOMETHYLPHENYL)PYRIDINE WITH HEXAMETHYLENETETRAMINE AND WATER TO PROVIDE 4-(PYRIDIN-2-YL)BENZALDEHYDE SUMIKA FINE CHEMICALS CO., LTD. (JP) 2001-07-31 — — US claimed
US-6147218-A 2-phenylpyridine derivative and production method thereof SUMIKA FINE CHEMICALS CO., LTD. (JP) 2000-11-14 — — US claimed
EP-0979820-A1 2-Phenylpyridine derivatives and production method thereof SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2000-02-16 — — EP claimed
EP-3725789-B1 7,8-DIHYDRO-[2H]-IMIDAZO-[1,2-A]PYRAZOLO[4,3-E]PYRIMIDIN-4(5H)-ONE DERIVATIVES AS PHOSPHODIESTERASE 1 (PDE1) INHIBITORS FOR TREATING DISEASES, DISORDERS OR INJURIES OF THE CENTRAL NERVOUS SYSTEM (CNS) INTRA CELLULAR THERAPIES INC (US) 2022-03-09 — — EP disclosed
CN-107106563-B Compounds and methods 细胞内治疗公司 2021-05-25 — — CN disclosed
EP-3193878-B1 7,8-DIHYDRO-[2H]-IMIDAZO-[1,2-A]PYRAZOLO[4,3-E]PYRIMIDIN-4(5H)-ONE DERIVATIVES AS PHOSPHODIESTERASE 1 (PDE1) INHIBITORS FOR TREATING DISEASES, DISORDERS OR INJURIES OF THE CENTRAL NERVOUS SYSTEM (CNS) INTRA CELLULAR THERAPIES INC (US) 2021-01-06 — — EP disclosed
EP-3725789-A1 7,8-DIHYDRO-[2H]-IMIDAZO-[1,2-A]PYRAZOLO[4,3-E]PYRIMIDIN-4(5H)-ONE DERIVATIVES AS PHOSPHODIESTERASE 1 (PDE1) INHIBITORS FOR TREATING DISEASES, DISORDERS OR INJURIES OF THE CENTRAL NERVOUS SYSTEM (CNS) Intra-Cellular Therapies, Inc. (US) 2020-10-21 — — EP disclosed
EP-3091983-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING A PDE-1 INHIBITOR AND A PDE-2 INHIBITOR INTRA CELLULAR THERAPIES INC (US) 2019-10-02 — — EP disclosed
US-20190144460-A1 COMPOUNDS AND METHODS INTRA-CELLULAR THERAPIES, INC. (US) 2019-05-16 — — US disclosed
US-10150774-B2 Compounds and methods INTRA-CELLULAR THERAPIES, INC. (US) 2018-12-11 — — US disclosed
US-9938284-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2018-04-10 — — US disclosed
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 — — EP disclosed
WO-1996033170-A1 N-AROYLAMINO ACID AMIDES AS ENDOTHELIN INHIBITORS NOVARITS AG (CH) 1996-10-24 — — WO disclosed
EP-0728145-A1 ENDOTHELIN RECEPTOR ANTAGONISTS Ciba-Geigy Japan Limited (JP) 1996-08-28 — — EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 — — WO disclosed
EP-0665223-A1 Antitumor agent, novel 3(2H)-pyridazinone derivatives and their preparation TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-08-02 — — EP disclosed
WO-1995012611-A1 ENDOTHELIN RECEPTOR ANTAGONISTS JAPAT LTD. (CH) 1995-05-11 — — WO disclosed
US-4859670-A 2-Azolylmethyl-2-aryl-1,3-dioxolanes and the salts thereof, agents containing same, and the use thereof HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-22 — — US disclosed
EP-0237962-A2 2-Azolylmethyl-2-aryl-1,3-dioxolanes and their preparation, compositions containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-09-23 — — EP 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 (2 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-10150774-B2 Compounds and methods BDNF, PYGB, SMPD1 KDM4E 3320/4885LMNA 1645/4885CYP1A2 2963/4885
US-20190144460-A1 COMPOUNDS AND METHODS BDNF, PYGB, SMPD1 KDM4E 3320/4885LMNA 1645/4885CYP1A2 2963/4885

“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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