SCHEMBL521907

SCHEMBL521907

CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.72
POLB P06746 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.62
SIRT6 Q8N6T7 5/20 0.59
RAB9A P51151 1/20 0.59
LMNA P02545 1/20 0.54
CHRNB2 P17787 2/20 0.53
CHRNB4 P30926 2/20 0.53
CHRNA3 P32297 2/20 0.53
CHRNA4 P43681 2/20 0.53
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL1393268 0.94 MAPT (0.74) MAPTPOLBSMN1; SMN2SIRT6RAB9A
SCHEMBL29649854 0.87 MAPT (0.59) MAPTPOLBSMN1; SMN2SIRT6RAB9A
SCHEMBL10126772 0.87 MAPT (0.59) MAPTPOLBSMN1; SMN2SIRT6RAB9A
SCHEMBL29435521 0.85 MAPT (0.97) MAPTPOLBSMN1; SMN2RAB9ALMNA
SCHEMBL15141576 0.85 MAPT (0.97) MAPTPOLBSMN1; SMN2RAB9ALMNA
SCHEMBL3539759 0.85 MAPT (0.90) MAPTPOLBSMN1; SMN2RAB9ALMNA
SCHEMBL13139587 0.84 MAPT (0.51) MAPTPOLBSMN1; SMN2SIRT6RAB9A
SCHEMBL17108488 0.84 MAPT (0.63) MAPTPOLBSMN1; SMN2SIRT6RAB9A
SCHEMBL29437410 0.84 MAPT (1.00) MAPTPOLBSMN1; SMN2RAB9ALMNA
SCHEMBL2722856 0.84 MAPT (1.00) MAPTPOLBSMN1; SMN2RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12595236-B2 Pyrimidine-2,4-diamine compound and preparation method and application thereof ANHUI MEDICAL UNIVERSITY (CN) 2026-04-07 US disclosed
US-12398132-B2 Derivatives of 4-(imidazo[1,2-a]pyridin-3-yl)-n-(pyridinyl)pyrimidin-2-amine as therapeutic agents AUCENTRA THERAPEUTICS PTY LTD (AU) 2025-08-26 US disclosed
EP-4596051-A2 HSPC-SPARING TREATMENTS FOR RB-POSITIVE ABNORMAL CELLULAR PROLIFERATION Pharmacosmos Holding A/s (DK) 2025-08-06 EP disclosed
US-12285431-B2 Treatment of Rb-negative tumors using topoisomerase inhibitors in combination with cyclin dependent kinase 4/6 inhibitors PHARMACOSMOS HOLDING A/S (DK) 2025-04-29 US disclosed
EP-2968291-B1 HSPC-SPARING TREATMENTS FOR RB-POSITIVE ABNORMAL CELLULAR PROLIFERATION PHARMACOSMOS HOLDING AS (DK) 2025-04-16 EP disclosed
EP-3752497-B1 P300/CBP HAT INHIBITORS CONSTELLATION PHARMACEUTICALS INC (US) 2024-07-17 EP disclosed
CN-114269742-B Derivatives of 4- (imidazo [1,2-a ] pyridin-3-yl) -N- (pyridinyl) pyrimidin-2-amine as therapeutic agents 常州千红生化制药股份有限公司 2024-07-16 CN disclosed
US-20240109906-A1 CDK INHIBITORS G1 THERAPEUTICS, INC. (US) 2024-04-04 US disclosed
CN-112920124-B Pyrimidine-2, 4-diamine compound, and preparation method and application thereof 安徽医科大学 2024-03-01 CN disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 US disclosed
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-12-10 US disclosed
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-12-10 US disclosed
CN-101594871-A Pyrrolopyrimidine compounds and uses thereof NOVARTIS AG (CH) 2009-12-02 CN disclosed
WO-2009098144-A1 NOVEL PYRIDINONES AND PYRIDAZINONES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-13 WO disclosed
EP-2029145-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES Novartis Ag (CH) 2009-03-04 EP disclosed
WO-2007140222-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2007-12-06 WO disclosed
US-20050176773-A1 Antiproliferative 2-(heteroaryl)-aminothiazole compounds and pharmaceutical compositions, and method for their use AGOURON PHARMACEUTICALS, INC. 2005-08-11 US disclosed
US-20050038078-A1 Antiproliferative 2-(heteroaryl)-aminothiazole compounds and pharmaceutical compositions, and methods for their use AGOURON PHARMACEUTICALS, INC. 2005-02-17 US disclosed
WO-2004014904-A1 ANTIPROLIFERATIVE 2-(HETEROARYL)-AMINOTHIAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE PFIZER INC. (US) 2004-02-19 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 (9 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-20240109906-A1 CDK INHIBITORS CDK3, CDK9, CDK6 MAPT 2057/4885POLB 252/4885SMN1; SMN2 1629/4885
US-12285431-B2 Treatment of Rb-negative tumors using topoisomerase inhibitors in combination with cyclin dependent kinase 4/6 inhibitors RB1, CDK4, CDK6 MAPT 3872/4885POLB 139/4885SMN1; SMN2 3155/4885
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses PRKDC, TK2, PNKP MAPT 2154/4885POLB 129/4885SMN1; SMN2 2559/4885
US-20050176773-A1 Antiproliferative 2-(heteroaryl)-aminothiazole compounds and pharmaceutical compositions, and method for their use CDK2, MKI67, CCNK MAPT 2032/4885POLB 749/4885SMN1; SMN2 2831/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 MAPT 3895/4885POLB 3344/4885SMN1; SMN2 3277/4885
US-12398132-B2 Derivatives of 4-(imidazo[1,2-a]pyridin-3-yl)-n-(pyridinyl)pyrimidin-2-amine as therapeutic agents FLT3, CDK2, CDK4 MAPT 3940/4885POLB 664/4885SMN1; SMN2 2401/4885
US-20050038078-A1 Antiproliferative 2-(heteroaryl)-aminothiazole compounds and pharmaceutical compositions, and methods for their use CDK2, CCNK, MKI67 MAPT 2107/4885POLB 885/4885SMN1; SMN2 2520/4885
US-12595236-B2 Pyrimidine-2,4-diamine compound and preparation method and application thereof CTSZ, CTSV, CASP2 MAPT 3995/4885POLB 1105/4885SMN1; SMN2 1362/4885
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase BTK, SYK, LYN MAPT 3675/4885POLB 2410/4885SMN1; SMN2 3464/4885

“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.