SCHEMBL642471

SCHEMBL642471

NCc1cc(Cl)ccc1-n1cnnn1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.49
NOTUM Q6P988 3/20 0.49
MASP2 O00187 1/20 0.43
ALDH1A1 P00352 2/20 0.42
F11 P03951 2/20 0.41
IDH1 O75874 1/20 0.41
KLKB1 P03952 1/20 0.41
CYP3A4 P08684 2/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40

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 SCHEMBL29880447 0.98 F2 (0.47) F2NOTUMMASP2ALDH1A1F11
Hydrochloric Acid SCHEMBL641657 0.98 F2 (0.47) F2NOTUMMASP2ALDH1A1F11
Acetic Acid SCHEMBL3931722 0.91 MASP2 (0.49) F2MASP2F11KLKB1CYP3A4
SCHEMBL3004861 0.88 F2 (0.46) F2NOTUMMASP2ALDH1A1F11
SCHEMBL24729488 0.84 F2 (0.49) F2NOTUMMASP2F11CYP3A4
SCHEMBL17232504 0.84 F2 (0.49) F2NOTUMMASP2ALDH1A1F11
SCHEMBL10290444 0.82 F2 (0.46) F2NOTUMMASP2ALDH1A1F11
SCHEMBL30711643 0.81 F2 (0.47) F2NOTUMMASP2F11KLKB1
SCHEMBL27033847 0.81 F2 (0.47) F2NOTUMMASP2F11KLKB1
SCHEMBL6077810 0.81 ALDH1A1 (0.46) NOTUMALDH1A1KLKB1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009004383-A2 AZA-BICYCLOHEXANE COMPOUNDS USEFUL AS ANTICOAGULANTS ASTRAZENECA AB (SE) 2009-01-08 WO claimed
WO-2025264954-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2025-12-26 WO disclosed
EP-4626891-A1 FUSED PYRIMIDINES AS MASP-2 INHIBITORS Omeros Corporation (US) 2025-10-08 EP disclosed
US-12221441-B2 Plasma kallikrein inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-02-11 US disclosed
CN-119350433-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2025-01-24 CN disclosed
EP-4477220-A2 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF Takeda Pharmaceutical Company Limited (JP) 2024-12-18 EP disclosed
CN-112867706-B MASP-2 inhibitors and methods of use 奥默罗斯公司 2024-11-15 CN disclosed
CN-118373875-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2024-07-23 CN disclosed
EP-4031547-B1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2024-07-17 EP disclosed
EP-4031547-B1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2024-07-17 EP disclosed
WO-2005058826-A1 NEW 5,6-DIHYDROPYRIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN ASTRAZENECA AB (SE) 2005-06-30 WO disclosed
WO-2005040137-A1 AMINOALKYL-PYRAZINONES AND -PYRIDONES AS THROMBIN INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-05-06 WO disclosed
WO-2005040137-A1 AMINOALKYL-PYRAZINONES AND -PYRIDONES AS THROMBIN INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-05-06 WO disclosed
US-20040097730-A1 Thrombin inhibitors MERCK & CO., INC. 2004-05-20 US disclosed
WO-2004032834-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2004-04-22 WO disclosed
US-20040073025-A1 Thrombin inhibitors MERCK SHARP & DOHME CORP. 2004-04-15 US disclosed
US-6610701-B2 For therapy and prophylaxis of blood coagulation and cardiovascular disorders MERCK & CO., INC. 2003-08-26 US disclosed
US-20030158218-A1 Thrombin inhibitors NANTERMET PHILIPPE G (US) 2003-08-21 US disclosed
US-20020193398-A1 Thrombin inhibitors MERCK & CO., INC. 2002-12-19 US disclosed
WO-2002064559-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 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-12221441-B2 Plasma kallikrein inhibitors and uses thereof KLKB1, KLK1, KLK5 F2 25/4885NOTUM 531/4885MASP2 53/4885
US-20040097730-A1 Thrombin inhibitors F3, F2, SERPINC1 F2 2/4885NOTUM 1910/4885MASP2 514/4885
US-20030158218-A1 Thrombin inhibitors F2, SERPINC1, TFPI F2 1/4885NOTUM 1305/4885MASP2 218/4885
US-20020193398-A1 Thrombin inhibitors F2, F3, TFPI F2 1/4885NOTUM 670/4885MASP2 914/4885
US-20040073025-A1 Thrombin inhibitors F2, F11, F10 F2 1/4885NOTUM 1633/4885MASP2 673/4885

“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.