SCHEMBL175236

SCHEMBL175236

Clc1nc(Cl)c2cnn(-c3ccccc3)c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
HPGD P15428 4/20 0.49
TSHR P16473 2/20 0.49
GRM1 Q13255 2/20 0.49
GRM5 P41594 1/20 0.49
KDM4E B2RXH2 8/20 0.48
HSD17B10 Q99714 6/20 0.48
KMT2A Q03164 5/20 0.48
POLB P06746 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TP53 P04637 2/20 0.47
MDM2 Q00987 1/20 0.47
MEN1 O00255 3/20 0.46
EGFR P00533 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
PI4KA P42356 1/20 0.46
PI4K2B Q8TCG2 1/20 0.46
PI4K2A Q9BTU6 1/20 0.46
PI4KB Q9UBF8 1/20 0.46

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
SCHEMBL2809356 0.87 GRM1 (0.54) ALDH1A1HPGDTSHRGRM1GRM5
SCHEMBL6287500 0.85 KDM4E (0.59) ALDH1A1HPGDTSHRGRM1GRM5
SCHEMBL30677333 0.84 GRM1 (0.53) ALDH1A1HPGDTSHRGRM1GRM5
SCHEMBL2786336 0.84 GRM1 (0.55) ALDH1A1HPGDGRM1KDM4EKMT2A
SCHEMBL23274461 0.84 ALDH1A1 (0.59) ALDH1A1HPGDTSHRGRM1GRM5
SCHEMBL31051085 0.84 SMN1; SMN2 (0.48) ALDH1A1HPGDTSHRGRM1KDM4E
SCHEMBL20102975 0.84 TYK2 (0.53) HPGDTSHRGRM1GRM5KMT2A
SCHEMBL26859548 0.83 KDM4E (0.51) ALDH1A1HPGDTSHRGRM1GRM5
SCHEMBL2786428 0.82 RXFP1 (0.49) ALDH1A1TSHRGRM1KDM4ETP53
SCHEMBL16981667 0.81 ALDH1A1 (0.47) ALDH1A1TSHRGRM1GRM5KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4719385-A2 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINES AS ANTI-INFECTIOUS AGENTS University of Vermont and State Agricultural College (US) 2026-04-08 EP disclosed
US-20250388582-A1 NOVEL BICYCLIC HETEROARYL COMPOUND AND USE THEREOF ILDONG PHARMACEUTICAL CO LTD (KR) 2025-12-25 US disclosed
US-20250360134-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE|TREATMENT OF INFECTIOUS DISEASES INST NAT SANTE RECH MED (FR) 2025-11-27 US disclosed
WO-2025215582-A1 SUBSTITUTED PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE GT GAIN THERAPEUTICS SA (CH) 2025-10-16 WO disclosed
EP-4556476-A1 NOVEL BICYCLIC HETEROARYL COMPOUND AND USE THEREOF Ildong Pharmaceutical Co., Ltd. (KR) 2025-05-21 EP disclosed
US-20250145642-A1 BICYCLIC HETEROARENES AND METHODS OF THEIR USE Kineta, Inc. 2025-05-08 US disclosed
US-12195469-B2 Compounds having PDE9A inhibitory activity, and pharmaceutical uses thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2025-01-14 US disclosed
US-12187729-B2 Compounds having PDE9A inhibitory activity, and pharmaceutical uses thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2025-01-07 US disclosed
WO-2024249380-A2 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINES AS ANTI-INFECTIOUS AGENTS UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2024-12-05 WO disclosed
CN-118946360-A Bicyclic heteroarenes and methods of use thereof 奇尼塔公司 2024-11-12 CN disclosed
US-20040023992-A1 Pyrazolo-pyrimidine aniline compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-02-05 US disclosed
EP-0390112-B1 Selective adenosine receptor agents MERRELL PHARMA INC (US) 1998-01-28 EP disclosed
US-5391739-A Adenosine antagonists MERRELL DOW PHARMACEUTICALS INC. (US) 1995-02-21 US disclosed
EP-0390111-B1 Selective adenosine receptor compounds MERRELL DOW PHARMA (US) 1994-09-14 EP disclosed
US-5329007-A Selective adenosine receptor agents MERRELL DOW PHARMACEUTICALS INC. (US) 1994-07-12 US disclosed
US-5256650-A Hypotensive, antispasmodic agents; sedatives; vasodilation MERRELL DOW PHARMACEUTICALS INC. (US) 1993-10-26 US disclosed
US-5086176-A Adenosine antagonist MERRELL DOW PHARMACEUTICALS INC. (US) 1992-02-04 US disclosed
US-5064947-A Enhance physiological effects while minimizing others such as decreasing blood pressure without decreasing heart rate MERRELL DOW PHARMACEUTICALS INC. (US) 1991-11-12 US disclosed
EP-0390112-A2 Selective adenosine receptor agents MERRELL PHARMACEUTICALS INC. (US) 1990-10-03 EP disclosed
EP-0390111-A2 Selective adenosine receptor compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1990-10-03 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 (6 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-12187729-B2 Compounds having PDE9A inhibitory activity, and pharmaceutical uses thereof PDE9A, PDE5A, PDE3A ALDH1A1 517/4885HPGD 966/4885TSHR 4222/4885
US-12195469-B2 Compounds having PDE9A inhibitory activity, and pharmaceutical uses thereof PDE9A, PDE5A, PDE3A ALDH1A1 517/4885HPGD 966/4885TSHR 4222/4885
US-20040023992-A1 Pyrazolo-pyrimidine aniline compounds useful as kinase inhibitors MAP4K2, MAP3K19, BRAF ALDH1A1 1321/4885HPGD 2023/4885TSHR 2343/4885
US-20250360134-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE|TREATMENT OF INFECTIOUS DISEASES SARS1, CCR5, INTS6 ALDH1A1 3238/4885HPGD 4266/4885TSHR 170/4885
US-20250388582-A1 NOVEL BICYCLIC HETEROARYL COMPOUND AND USE THEREOF GBA1, PIKFYVE, MAN2B1 ALDH1A1 3837/4885HPGD 4458/4885TSHR 3647/4885
US-20250145642-A1 BICYCLIC HETEROARENES AND METHODS OF THEIR USE TARDBP, TDP2, PSEN2 ALDH1A1 2999/4885HPGD 2260/4885TSHR 4389/4885

“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.